Nesuparib
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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
- Nesuparib
- DrugBank Accession Number
- DB18110
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 400.486
Monoisotopic: 400.201159417 - Chemical Formula
- C23H24N6O
- Synonyms
- 6-(4-((5-oxo-1,2,3,4,5,6-hexahydrobenzo(h)(1,6)naphthyridin-8-yl)methyl)piperazin-1-yl)nicotinonitrile
- External IDs
- JPI 547
- JPI-547
- JPI547
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Nesuparib monocitrate 5GB5K3SD5Y Not Available KQYIBWDRHVPYQR-UHFFFAOYSA-N
Categories
- Drug Categories
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- U6N7333GDW
- CAS number
- 2055357-64-5
- InChI Key
- GRPXLKXGJAGYSD-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H24N6O/c24-13-17-4-6-21(26-14-17)29-10-8-28(9-11-29)15-16-3-5-18-20(12-16)27-23(30)19-2-1-7-25-22(18)19/h3-6,12,14,25H,1-2,7-11,15H2,(H,27,30)
- IUPAC Name
- 6-[4-({5-oxo-1H,2H,3H,4H,5H,6H-benzo[h]1,6-naphthyridin-8-yl}methyl)piperazin-1-yl]pyridine-3-carbonitrile
- SMILES
- O=C1NC2=CC(CN3CCN(CC3)C3=CC=C(C=N3)C#N)=CC=C2C2=C1CCCN2
References
- General References
- Not Available
- External Links
- ChemSpider
- 115008002
- BindingDB
- 419751
- ChEMBL
- CHEMBL5095245
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Not Yet Recruiting Treatment Ovarian Cancer 1 1 Completed Treatment Advanced Solid Tumors 1 1 Not Yet Recruiting Treatment Pancreatic Ductal Adenocarcinoma (PDAC) 1
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 1.92 Chemaxon pKa (Strongest Acidic) 10.86 Chemaxon pKa (Strongest Basic) 8.11 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 84.29 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 119.8 m3·mol-1 Chemaxon Polarizability 44.68 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 No 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 12, 2023 16:30 / Updated at September 28, 2023 05:48