Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Formycin B
- DrugBank Accession Number
- DB04198
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Formycin B (DB04198)
- Weight
- Average: 268.2261
Monoisotopic: 268.080769514 - Chemical Formula
- C10H12N4O5
- 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
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 AHypoxanthine-guanine-xanthine phosphoribosyltransferase inhibitorPlasmodium falciparum (isolate FCR-3 / Gambia) UPurine nucleoside phosphorylase DeoD-type Not Available Escherichia coli (strain K12) UHypoxanthine-guanine phosphoribosyltransferase Not Available Trypanosoma cruzi - 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 c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond.
- Kingdom
- Organic compounds
- Super Class
- Organic oxygen compounds
- Class
- Organooxygen compounds
- Sub Class
- Carbohydrates and carbohydrate conjugates
- Direct Parent
- C-glycosyl compounds
- Alternative Parents
- Pentoses / Pyrazolopyrimidines / Pyrimidones / Tetrahydrofurans / Heteroaromatic compounds / Pyrazoles / Secondary alcohols / Lactams / Dialkyl ethers / Azacyclic compounds show 6 more
- Substituents
- Alcohol / Aromatic heteropolycyclic compound / Azacycle / Azole / C-glycosyl compound / Dialkyl ether / Ether / Heteroaromatic compound / Hydrocarbon derivative / Lactam show 15 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- formycin (CHEBI:42654)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 796VMV3YML
- CAS number
- Not Available
- InChI Key
- MTCJZZBQNCXKAP-KSYZLYKTSA-N
- InChI
- InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9+/m1/s1
- IUPAC Name
- 3-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
- SMILES
- [H][C@]1(CO)O[C@@]([H])(C2=C3N=CNC(=O)C3=NN2)[C@]([H])(O)[C@]1([H])O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 72443
- PubChem Substance
- 46505632
- ChemSpider
- 65370
- ChEBI
- 42654
- ChEMBL
- CHEMBL1232777
- ZINC
- ZINC000008577182
- PDBe Ligand
- FMB
- PDB Entries
- 1a69 / 1jdz / 1pr1 / 1tc1
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data
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 10.0 mg/mL ALOGPS logP -1.9 ALOGPS logP -2.8 Chemaxon logS -1.4 ALOGPS pKa (Strongest Acidic) 8.63 Chemaxon pKa (Strongest Basic) -2.3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 140.06 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 63.25 m3·mol-1 Chemaxon Polarizability 24.58 Å3 Chemaxon Number of Rings 3 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 + 0.983 Blood Brain Barrier + 0.6258 Caco-2 permeable - 0.7855 P-glycoprotein substrate Non-substrate 0.6461 P-glycoprotein inhibitor I Non-inhibitor 0.9673 P-glycoprotein inhibitor II Non-inhibitor 0.9913 Renal organic cation transporter Non-inhibitor 0.9382 CYP450 2C9 substrate Non-substrate 0.8658 CYP450 2D6 substrate Non-substrate 0.8187 CYP450 3A4 substrate Non-substrate 0.5451 CYP450 1A2 substrate Non-inhibitor 0.7173 CYP450 2C9 inhibitor Non-inhibitor 0.9058 CYP450 2D6 inhibitor Non-inhibitor 0.9384 CYP450 2C19 inhibitor Non-inhibitor 0.8796 CYP450 3A4 inhibitor Non-inhibitor 0.8856 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9298 Ames test Non AMES toxic 0.5365 Carcinogenicity Non-carcinogens 0.9144 Biodegradation Not ready biodegradable 0.9119 Rat acute toxicity 2.1903 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9762 hERG inhibition (predictor II) Non-inhibitor 0.9021
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0005-7970000000-1409664a42df66367f0b Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0090000000-85ce9899df01a5cd527f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00mk-0980000000-d4c8edae78e6f905f8fb Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0920000000-2ea4bdce9d76a11dfae0 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-052r-1900000000-d1048dd2dda2b09586db Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4m-1900000000-eb671d9ef5525a9bbea9 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0910000000-c6f51a1e2616b8ba963c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 169.9075332 predictedDarkChem Lite v0.1.0 [M-H]- 159.66673 predictedDeepCCS 1.0 (2019) [M+H]+ 170.3385332 predictedDarkChem Lite v0.1.0 [M+H]+ 162.0623 predictedDeepCCS 1.0 (2019) [M+Na]+ 169.6235332 predictedDarkChem Lite v0.1.0 [M+Na]+ 169.5441 predictedDeepCCS 1.0 (2019)
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
- Plasmodium falciparum (isolate FCR-3 / Gambia)
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Catalyzes the transfer of a ribosyl phosphate group from 5-phosphoribose 1-diphosphate to the N(9) of hypoxanthine, guanine or xanthine, leading to IMP, GMP and XMP, respectively. Plays a central role in the generation of purine nucleotides through the purine salvage pathway.
- Specific Function
- guanine phosphoribosyltransferase activity
- Gene Name
- LACZ
- Uniprot ID
- P20035
- Uniprot Name
- Hypoxanthine-guanine-xanthine phosphoribosyltransferase
- Molecular Weight
- 26348.18 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Catalyzes the reversible phosphorolytic breakdown of the N-glycosidic bond in the beta-(deoxy)ribonucleoside molecules, with the formation of the corresponding free purine bases and pentose-1-phosphate (PubMed:11786017, PubMed:21672603, PubMed:235429, PubMed:30337572). Acts on 6-amino and 6-oxopurines including deoxyinosine, deoxyguanosine, deoxyadenosine, adenosine, guanosine, and inosine (PubMed:11786017, PubMed:21672603, PubMed:235429, PubMed:30337572). Does not act on xanthosine (Probable). May also catalyze a phosphate-dependent transfer of the pentose moiety from one purine base to another (PubMed:235429).
- Specific Function
- guanosine phosphorylase activity
- Gene Name
- deoD
- Uniprot ID
- P0ABP8
- Uniprot Name
- Purine nucleoside phosphorylase DeoD-type
- Molecular Weight
- 25949.68 Da
References
- Kind
- Protein
- Organism
- Trypanosoma cruzi
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- guanine phosphoribosyltransferase activity
- Gene Name
- HGPRTase
- Uniprot ID
- Q27796
- Uniprot Name
- Hypoxanthine-guanine phosphoribosyltransferase
- Molecular Weight
- 25529.02 Da
Drug created at June 13, 2005 13:24 / Updated at August 26, 2024 19:22