Identification
- Generic Name
- Cytidine 3'-monophosphate
- DrugBank Accession Number
- DB01961
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Cytidine 3'-monophosphate (DB01961)
- Weight
- Average: 323.1965
Monoisotopic: 323.051850951 - Chemical Formula
- C9H14N3O8P
- Synonyms
- 3'-CMP
- 3'-Cytidylic acid
- Cytidine 3'-phosphate
- Cytidine-3'-monophosphate
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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism URibonuclease pancreatic 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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- Pentose phosphates
- Alternative Parents
- Glycosylamines / Monosaccharide phosphates / Monoalkyl phosphates / Hydroxypyrimidines / Hydropyrimidines / Tetrahydrofurans / Heteroaromatic compounds / Secondary alcohols / Oxacyclic compounds / Azacyclic compounds show 5 more
- Substituents
- Alcohol / Alkyl phosphate / Aromatic heteromonocyclic compound / Azacycle / Glycosyl compound / Heteroaromatic compound / Hydrocarbon derivative / Hydropyrimidine / Hydroxypyrimidine / Monoalkyl phosphate show 15 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- cytidine 3'-phosphate, pyrimidine ribonucleoside 3'-monophosphate (CHEBI:53013)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6DZL5I6D4D
- CAS number
- 84-52-6
- InChI Key
- UOOOPKANIPLQPU-XVFCMESISA-N
- InChI
- InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- IUPAC Name
- {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid
- SMILES
- NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]1O
References
- General References
- Not Available
- External Links
- KEGG Compound
- C05822
- PubChem Compound
- 66535
- PubChem Substance
- 46508759
- ChemSpider
- 59906
- BindingDB
- 50233301
- ChEBI
- 53013
- ChEMBL
- CHEMBL258728
- ZINC
- ZINC000004096919
- PDBe Ligand
- C3P
- PDB Entries
- 1rpf / 3djv / 5et4 / 5ogh
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 17.6 mg/mL ALOGPS logP -2 ALOGPS logP -2.9 Chemaxon logS -1.3 ALOGPS pKa (Strongest Acidic) 0.8 Chemaxon pKa (Strongest Basic) 4.19 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 175.14 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 65.42 m3·mol-1 Chemaxon Polarizability 26.91 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.6318 Blood Brain Barrier + 0.9666 Caco-2 permeable - 0.7886 P-glycoprotein substrate Non-substrate 0.8256 P-glycoprotein inhibitor I Non-inhibitor 0.9136 P-glycoprotein inhibitor II Non-inhibitor 0.8978 Renal organic cation transporter Non-inhibitor 0.9468 CYP450 2C9 substrate Non-substrate 0.7132 CYP450 2D6 substrate Non-substrate 0.8552 CYP450 3A4 substrate Non-substrate 0.6117 CYP450 1A2 substrate Non-inhibitor 0.9302 CYP450 2C9 inhibitor Non-inhibitor 0.9111 CYP450 2D6 inhibitor Non-inhibitor 0.9241 CYP450 2C19 inhibitor Non-inhibitor 0.9013 CYP450 3A4 inhibitor Non-inhibitor 0.9338 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9616 Ames test Non AMES toxic 0.7988 Carcinogenicity Non-carcinogens 0.8459 Biodegradation Not ready biodegradable 0.8052 Rat acute toxicity 2.2524 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9782 hERG inhibition (predictor II) Non-inhibitor 0.8762
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available LC-MS/MS Spectrum - LC-ESI-QTOF , negative LC-MS/MS splash10-01t9-9053000000-98586caa88a9542b6869 MS/MS Spectrum - , negative LC-MS/MS splash10-03fr-9160000000-696e9f36a6aa3034e301
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Ribonuclease a activity
- Specific Function
- Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single-stranded and double-stranded RNA.
- Gene Name
- RNASE1
- Uniprot ID
- P07998
- Uniprot Name
- Ribonuclease pancreatic
- Molecular Weight
- 17644.125 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]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52