This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AGF-94
- DrugBank Accession Number
- DB18023
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for AGF-94 (DB18023)
- Weight
- Average: 447.47
Monoisotopic: 447.12125459 - Chemical Formula
- C19H21N5O6S
- Synonyms
- (5-(3-(2-amino-4-oxo-4,7-dihydro-3 h-pyrrolo(2,3-d)pyrimidin-6-yl)propyl)thiophene-2-carbonyl)-l-glutamic acid
- External IDs
- AGF 94
- AGF-94
- AGF94
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
- Not Available
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- X28K3E95TF
- CAS number
- 136784-51-5
- InChI Key
- WMBYSCVMFMNUQV-LBPRGKRZSA-N
- InChI
- InChI=1S/C19H21N5O6S/c20-19-23-15-11(16(27)24-19)8-9(21-15)2-1-3-10-4-6-13(31-10)17(28)22-12(18(29)30)5-7-14(25)26/h4,6,8,12H,1-3,5,7H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t12-/m0/s1
- IUPAC Name
- (2S)-2-{[5-(3-{2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-6-yl}propyl)thiophen-2-yl]formamido}pentanedioic acid
- SMILES
- NC1=NC2=C(C=C(CCCC3=CC=C(S3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2)C(=O)N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 26616769
- BindingDB
- 50354833
- ChEMBL
- CHEMBL1834488
- ZINC
- ZINC000072124809
- PDBe Ligand
- G94
- PDB Entries
- 4zyw
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source logP 0.92 Chemaxon pKa (Strongest Acidic) 4.42 Chemaxon pKa (Strongest Basic) 3.56 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 186.97 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 111.34 m3·mol-1 Chemaxon Polarizability 45.14 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 07, 2023 16:53 / Updated at September 07, 2023 18:09