Guanosine-5'-Triphosphate
Star0
Identification
- Generic Name
- Guanosine-5'-Triphosphate
- DrugBank Accession Number
- DB04137
- Background
Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem]
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 523.1804
Monoisotopic: 522.990659781 - Chemical Formula
- C10H16N5O14P3
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism URNA-directed RNA polymerase Not Available Pseudomonas phage phi6 UUridine-cytidine kinase-like 1 Not Available Humans UGTPase HRas Not Available Humans UGenome polyprotein Not Available Hepatitis C virus genotype 1b (isolate BK) URho-related GTP-binding protein RhoE Not Available Humans UGenome polyprotein Not Available BVDV UGTP-binding protein Rheb Not Available Humans UGTP cyclohydrolase 1 Not Available Shigella flexneri U6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1 Not Available Humans URas-related protein Rab-5A Not Available Humans UProbable GTP-binding protein EngB Not Available Bacillus subtilis (strain 168) UmRNA-capping enzyme Not Available PBCV-1 UGenome polyprotein Not Available Poliovirus type 1 (strain Mahoney) UADP-ribosylation factor 1 Not Available Humans UMolybdenum cofactor guanylyltransferase Not Available Escherichia coli (strain K12) UOrnithine decarboxylase, inducible Not Available Lactobacillus sp. (strain 30a) UGlutamate dehydrogenase 1, mitochondrial Not Available Humans UAdenylosuccinate synthetase isozyme 1 Not Available Humans URas-related protein Rap-2a Not Available Humans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety.
- Kingdom
- Organic compounds
- Super Class
- Nucleosides, nucleotides, and analogues
- Class
- Purine nucleotides
- Sub Class
- Purine ribonucleotides
- Direct Parent
- Purine ribonucleoside triphosphates
- Alternative Parents
- Purine ribonucleoside monophosphates / Pentose phosphates / Glycosylamines / Monosaccharide phosphates / Purines and purine derivatives / Monoalkyl phosphates / Hydroxypyrimidines / N-substituted imidazoles / Tetrahydrofurans / Heteroaromatic compounds show 8 more
- Substituents
- 1,2-diol / Alcohol / Alkyl phosphate / Aromatic heteropolycyclic compound / Azacycle / Azole / Glycosyl compound / Heteroaromatic compound / Hydrocarbon derivative / Hydroxypyrimidine show 25 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- guanosine 5'-phosphate, purine ribonucleoside 5'-triphosphate (CHEBI:15996) / Ribonucleotides (C00044)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 01WV7J708X
- CAS number
- 86-01-1
- InChI Key
- XKMLYUALXHKNFT-UUOKFMHZSA-N
- InChI
- InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
- IUPAC Name
- ({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
- SMILES
- NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0001273
- KEGG Compound
- C00044
- PubChem Compound
- 6830
- PubChem Substance
- 46507835
- ChemSpider
- 6569
- ChEBI
- 15996
- ChEMBL
- CHEMBL1233147
- ZINC
- ZINC000060094177
- PDBe Ligand
- GTP
- PDB Entries
- 1a8r / 1a9c / 1c1y / 1c4k / 1c80 / 1ckm / 1ckn / 1e96 / 1ffx / 1frw … show 1628 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 10.4 mg/mL ALOGPS logP -0.63 ALOGPS logP -3.8 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 0.92 Chemaxon pKa (Strongest Basic) -0.38 Chemaxon Physiological Charge -4 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 8 Chemaxon Polar Surface Area 294.81 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 97.24 m3·mol-1 Chemaxon Polarizability 39.81 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.6698 Blood Brain Barrier + 0.8818 Caco-2 permeable - 0.7567 P-glycoprotein substrate Non-substrate 0.6184 P-glycoprotein inhibitor I Non-inhibitor 0.9234 P-glycoprotein inhibitor II Non-inhibitor 0.9815 Renal organic cation transporter Non-inhibitor 0.9536 CYP450 2C9 substrate Non-substrate 0.8501 CYP450 2D6 substrate Non-substrate 0.8342 CYP450 3A4 substrate Non-substrate 0.5541 CYP450 1A2 substrate Non-inhibitor 0.8523 CYP450 2C9 inhibitor Non-inhibitor 0.9277 CYP450 2D6 inhibitor Non-inhibitor 0.9013 CYP450 2C19 inhibitor Non-inhibitor 0.9263 CYP450 3A4 inhibitor Non-inhibitor 0.9501 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9833 Ames test Non AMES toxic 0.9091 Carcinogenicity Non-carcinogens 0.9063 Biodegradation Not ready biodegradable 0.9592 Rat acute toxicity 2.4879 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9753 hERG inhibition (predictor II) Non-inhibitor 0.8212
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 220.6051918 predictedDarkChem Lite v0.1.0 [M-H]- 224.7922918 predictedDarkChem Lite v0.1.0 [M-H]- 219.0604918 predictedDarkChem Lite v0.1.0 [M-H]- 141.56673 predictedDeepCCS 1.0 (2019) [M+H]+ 221.9844918 predictedDarkChem Lite v0.1.0 [M+H]+ 224.3462918 predictedDarkChem Lite v0.1.0 [M+H]+ 219.9134918 predictedDarkChem Lite v0.1.0 [M+H]+ 144.59033 predictedDeepCCS 1.0 (2019) [M+Na]+ 222.0863918 predictedDarkChem Lite v0.1.0 [M+Na]+ 223.9962918 predictedDarkChem Lite v0.1.0 [M+Na]+ 219.2809918 predictedDarkChem Lite v0.1.0 [M+Na]+ 151.72664 predictedDeepCCS 1.0 (2019)
Targets
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Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
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1. DetailsRNA-directed RNA polymerase
- Kind
- Protein
- Organism
- Pseudomonas phage phi6
- Pharmacological action
- Unknown
- General Function
- Rna-directed rna polymerase activity
- Specific Function
- Rna-dependent RNA polymerase part of the packaging complex that packages the viral RNA segments, replicate them into a double-stranded form and transcribe them.
- Gene Name
- P2
- Uniprot ID
- P11124
- Uniprot Name
- RNA-directed RNA polymerase
- Molecular Weight
- 74921.73 Da
References
2. DetailsUridine-cytidine kinase-like 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Uridine kinase activity
- Specific Function
- May contribute to UTP accumulation needed for blast transformation and proliferation.
- Gene Name
- UCKL1
- Uniprot ID
- Q9NWZ5
- Uniprot Name
- Uridine-cytidine kinase-like 1
- Molecular Weight
- 61140.395 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
3. DetailsGTPase HRas
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Protein c-terminus binding
- Specific Function
- Ras proteins bind GDP/GTP and possess intrinsic GTPase activity.
- Gene Name
- HRAS
- Uniprot ID
- P01112
- Uniprot Name
- GTPase HRas
- Molecular Weight
- 21297.97 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
4. DetailsGenome polyprotein
- Kind
- Protein
- Organism
- Hepatitis C virus genotype 1b (isolate BK)
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Core protein packages viral RNA to form a viral nucleocapsid, and promotes virion budding. Modulates viral translation initiation by interacting with HCV IRES and 40S ribosomal subunit. Also regula...
- Gene Name
- Not Available
- Uniprot ID
- P26663
- Uniprot Name
- Genome polyprotein
- Molecular Weight
- 327190.435 Da
References
5. DetailsRho-related GTP-binding protein RhoE
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Gtpase activity
- Specific Function
- Binds GTP but lacks intrinsic GTPase activity and is resistant to Rho-specific GTPase-activating proteins.
- Gene Name
- RND3
- Uniprot ID
- P61587
- Uniprot Name
- Rho-related GTP-binding protein RhoE
- Molecular Weight
- 27367.995 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
6. DetailsGenome polyprotein
- Kind
- Protein
- Organism
- BVDV
- Pharmacological action
- Unknown
- General Function
- Serine-type exopeptidase activity
- Specific Function
- Initial binding to target cell probably involves interaction of E(rns) with glycosaminoglycans. E1 and/or E2 are responsible of cell attachment with CD46 and subsequent fusion after internalization...
- Gene Name
- Not Available
- Uniprot ID
- P19711
- Uniprot Name
- Genome polyprotein
- Molecular Weight
- 449159.405 Da
References
7. DetailsGTP-binding protein Rheb
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Metal ion binding
- Specific Function
- Activates the protein kinase activity of mTORC1, and thereby plays a role in the regulation of apoptosis. Stimulates the phosphorylation of S6K1 and EIF4EBP1 through activation of mTORC1 signaling....
- Gene Name
- RHEB
- Uniprot ID
- Q15382
- Uniprot Name
- GTP-binding protein Rheb
- Molecular Weight
- 20497.335 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
8. DetailsGTP cyclohydrolase 1
- Kind
- Protein
- Organism
- Shigella flexneri
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Not Available
- Gene Name
- folE
- Uniprot ID
- P0A6T8
- Uniprot Name
- GTP cyclohydrolase 1
- Molecular Weight
- 24830.405 Da
References
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Identical protein binding
- Specific Function
- Synthesis and degradation of fructose 2,6-bisphosphate.
- Gene Name
- PFKFB1
- Uniprot ID
- P16118
- Uniprot Name
- 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 1
- Molecular Weight
- 54680.86 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
10. DetailsRas-related protein Rab-5A
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Gtpase activity
- Specific Function
- The small GTPases Rab are key regulators of intracellular membrane trafficking, from the formation of transport vesicles to their fusion with membranes. Rabs cycle between an inactive GDP-bound for...
- Gene Name
- RAB5A
- Uniprot ID
- P20339
- Uniprot Name
- Ras-related protein Rab-5A
- Molecular Weight
- 23658.5 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
11. DetailsProbable GTP-binding protein EngB
- Kind
- Protein
- Organism
- Bacillus subtilis (strain 168)
- Pharmacological action
- Unknown
- General Function
- Magnesium ion binding
- Specific Function
- Necessary for normal cell division and for the maintenance of normal septation.Binds GTP and GDP.
- Gene Name
- engB
- Uniprot ID
- P38424
- Uniprot Name
- Probable GTP-binding protein EngB
- Molecular Weight
- 22026.23 Da
References
12. DetailsmRNA-capping enzyme
- Kind
- Protein
- Organism
- PBCV-1
- Pharmacological action
- Unknown
- General Function
- Mrna guanylyltransferase activity
- Specific Function
- mRNA capping. Transfers a GMP cap onto the end of mRNA that terminates with a 5'-diphosphate tail.
- Gene Name
- Not Available
- Uniprot ID
- Q84424
- Uniprot Name
- mRNA-capping enzyme
- Molecular Weight
- 37831.715 Da
References
13. DetailsGenome polyprotein
- Kind
- Protein
- Organism
- Poliovirus type 1 (strain Mahoney)
- Pharmacological action
- Unknown
- General Function
- Structural molecule activity
- Specific Function
- Capsid protein VP1: Forms an icosahedral capsid of pseudo T=3 symmetry with capsid proteins VP2 and VP3. The capsid is 300 Angstroms in diameter, composed of 60 copies of each capsid protein and en...
- Gene Name
- Not Available
- Uniprot ID
- P03300
- Uniprot Name
- Genome polyprotein
- Molecular Weight
- 246538.14 Da
References
14. DetailsADP-ribosylation factor 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Receptor signaling protein activity
- Specific Function
- GTP-binding protein that functions as an allosteric activator of the cholera toxin catalytic subunit, an ADP-ribosyltransferase. Involved in protein trafficking among different compartments. Modula...
- Gene Name
- ARF1
- Uniprot ID
- P84077
- Uniprot Name
- ADP-ribosylation factor 1
- Molecular Weight
- 20696.62 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
15. DetailsMolybdenum cofactor guanylyltransferase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Molybdenum cofactor guanylyltransferase activity
- Specific Function
- Transfers a GMP moiety from GTP to Mo-molybdopterin (Mo-MPT) cofactor (Moco or molybdenum cofactor) to form Mo-molybdopterin guanine dinucleotide (Mo-MGD) cofactor. Is also involved in the biosynth...
- Gene Name
- mobA
- Uniprot ID
- P32173
- Uniprot Name
- Molybdenum cofactor guanylyltransferase
- Molecular Weight
- 21642.735 Da
References
16. DetailsOrnithine decarboxylase, inducible
- Kind
- Protein
- Organism
- Lactobacillus sp. (strain 30a)
- Pharmacological action
- Unknown
- General Function
- Ornithine decarboxylase activity
- Specific Function
- Not Available
- Gene Name
- odcI
- Uniprot ID
- P43099
- Uniprot Name
- Ornithine decarboxylase, inducible
- Molecular Weight
- 82687.46 Da
References
17. DetailsGlutamate dehydrogenase 1, mitochondrial
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Nad+ binding
- Specific Function
- Mitochondrial glutamate dehydrogenase that converts L-glutamate into alpha-ketoglutarate. Plays a key role in glutamine anaplerosis by producing alpha-ketoglutarate, an important intermediate in th...
- Gene Name
- GLUD1
- Uniprot ID
- P00367
- Uniprot Name
- Glutamate dehydrogenase 1, mitochondrial
- Molecular Weight
- 61397.315 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
18. DetailsAdenylosuccinate synthetase isozyme 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Phosphate ion binding
- Specific Function
- Component of the purine nucleotide cycle (PNC), which interconverts IMP and AMP to regulate the nucleotide levels in various tissues, and which contributes to glycolysis and ammoniagenesis. Catalyz...
- Gene Name
- ADSSL1
- Uniprot ID
- Q8N142
- Uniprot Name
- Adenylosuccinate synthetase isozyme 1
- Molecular Weight
- 50208.16 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
19. DetailsRas-related protein Rap-2a
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Gtpase activity
- Specific Function
- Small GTP-binding protein which cycles between a GDP-bound inactive and a GTP-bound active form. In its active form interacts with and regulates several effectors including MAP4K4, MINK1 and TNIK. ...
- Gene Name
- RAP2A
- Uniprot ID
- P10114
- Uniprot Name
- Ras-related protein Rap-2a
- Molecular Weight
- 20615.3 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52