This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- PHA-767491
- DrugBank Accession Number
- DB17043
- Background
PHA-767491 is a Cdc7/CDK9 inhibitor.1
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for PHA-767491 (DB17043)
- Weight
- Average: 213.24
Monoisotopic: 213.090211986 - Chemical Formula
- C12H11N3O
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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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
Products
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Ingredient UNII CAS InChI Key PHA-767491 hydrochloride Not Available 845538-12-7 Not applicable
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5M2GUN688C
- CAS number
- 845714-00-3
- InChI Key
- DKXHSOUZPMHNIZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16)
- IUPAC Name
- 2-(pyridin-4-yl)-1H,6H,7H-pyrrolo[3,2-c]pyridin-4-ol
- SMILES
- OC1=NCCC2=C1C=C(N2)C1=CC=NC=C1
References
- General References
- Liu HY, Tuckett AZ, Fennell M, Garippa R, Zakrzewski JL: Repurposing of the CDK inhibitor PHA-767491 as a NRF2 inhibitor drug candidate for cancer therapy via redox modulation. Invest New Drugs. 2018 Aug;36(4):590-600. doi: 10.1007/s10637-017-0557-6. Epub 2018 Jan 3. [Article]
- External Links
- ChemSpider
- 9890488
- BindingDB
- 27344
- ChEBI
- 95058
- ChEMBL
- CHEMBL225519
- ZINC
- ZINC000016052718
- PDBe Ligand
- 0SY
- PDB Entries
- 4f9b
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 0.158 mg/mL ALOGPS logP 1.03 ALOGPS logP 1.03 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 7.98 Chemaxon pKa (Strongest Basic) 5.24 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 61.27 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 61.47 m3·mol-1 Chemaxon Polarizability 22.61 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 October 11, 2022 17:48 / Updated at December 13, 2022 10:46