Venadaparib
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Identification
- Generic Name
- Venadaparib
- DrugBank Accession Number
- DB17105
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 406.461
Monoisotopic: 406.18050416 - Chemical Formula
- C23H23FN4O2
- Synonyms
- 1(2h)-phthalazinone, 4-((3-((3-((cyclopropylamino)methyl)-1-azetidinyl)carbonyl)-4-fluorophenyl)methyl)-
- 4-((3-((3-((cyclopropylamino)methyl)-1-azetidinyl)carbonyl)-4-fluorophenyl)methyl)-1(2h)-phthalazinone
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
- PUP792O0IW
- CAS number
- 1681017-83-3
- InChI Key
- YNBQAYKYNYRCCA-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H23FN4O2/c24-20-8-5-14(10-21-17-3-1-2-4-18(17)22(29)27-26-21)9-19(20)23(30)28-12-15(13-28)11-25-16-6-7-16/h1-5,8-9,15-16,25H,6-7,10-13H2,(H,27,29)
- IUPAC Name
- 4-[(3-{3-[(cyclopropylamino)methyl]azetidine-1-carbonyl}-4-fluorophenyl)methyl]-1,2-dihydrophthalazin-1-one
- SMILES
- FC1=C(C=C(CC2=NNC(=O)C3=CC=CC=C23)C=C1)C(=O)N1CC(CNC2CC2)C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 114916631
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 0.0277 mg/mL ALOGPS logP 2.23 ALOGPS logP 1.53 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 9.7 Chemaxon pKa (Strongest Basic) 10.31 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 73.8 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 112.33 m3·mol-1 Chemaxon Polarizability 41.95 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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
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 14, 2022 21:39 / Updated at December 01, 2022 11:35