AAG-1
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- AAG-1
- DrugBank Accession Number
- DB17199
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 283.331
Monoisotopic: 283.132076799 - Chemical Formula
- C16H17N3O2
- Synonyms
- Flag-003 free base
- Furo(2,3-d)pyrimidin-4-amine, n-(4-methoxyphenyl)-n,2,6-trimethyl-
- N-(4-methoxyphenyl)-n,2,6-trimethylfuro(2,3-d) pyrimidin-4-amine
- External IDs
- AAG-1
Pharmacology
- Indication
Not Available
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- 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
- LB2951OCS5
- CAS number
- 1204408-18-3
- InChI Key
- KVMLMFRXRZLEGU-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
- IUPAC Name
- N-(4-methoxyphenyl)-N,2,6-trimethylfuro[2,3-d]pyrimidin-4-amine
- SMILES
- COC1=CC=C(C=C1)N(C)C1=C2C=C(C)OC2=NC(C)=N1
References
- General References
- Not Available
- External Links
- ChemSpider
- 34246088
- BindingDB
- 50022542
- ChEMBL
- CHEMBL3297898
- ZINC
- ZINC000141494346
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 Water Solubility 0.178 mg/mL ALOGPS logP 3.51 ALOGPS logP 3.31 Chemaxon logS -3.2 ALOGPS pKa (Strongest Basic) 2.29 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 51.39 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 81.45 m3·mol-1 Chemaxon Polarizability 30.95 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 24, 2022 22:26 / Updated at December 01, 2022 11:36