This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Iniparib
- DrugBank Accession Number
- DB13877
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Iniparib (DB13877)
- Weight
- Average: 292.032
Monoisotopic: 291.93449 - Chemical Formula
- C7H5IN2O3
- Synonyms
- 4-iodo-3-nitrobenzamide
- Iniparib
- External IDs
- BSI-201
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UPoly [ADP-ribose] polymerase 1 Not Available Humans - 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareArticaine The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Cinchocaine. Cocaine The risk or severity of methemoglobinemia can be increased when Iniparib is combined with Cocaine. 
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- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzoic acids and derivatives
- Direct Parent
- 4-halobenzoic acids and derivatives
- Alternative Parents
- Benzamides / Nitrobenzenes / Benzoyl derivatives / Nitroaromatic compounds / Iodobenzenes / Aryl iodides / Primary carboxylic acid amides / Propargyl-type 1,3-dipolar organic compounds / Organic oxoazanium compounds / Organic zwitterions show 6 more
- Substituents
- 4-halobenzoic acid or derivatives / Allyl-type 1,3-dipolar organic compound / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide / Benzamide / Benzoyl / C-nitro compound / Carboxamide group / Carboxylic acid derivative show 19 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 2ZWI7KHK8F
- CAS number
- 160003-66-7
- InChI Key
- MDOJTZQKHMAPBK-UHFFFAOYSA-N
- InChI
- InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)
- IUPAC Name
- 4-iodo-3-nitrobenzamide
- SMILES
- NC(=O)C1=CC(=C(I)C=C1)[N+]([O-])=O
References
- General References
- Not Available
- External Links
- KEGG Drug
- D09913
- ChemSpider
- 7971834
- ChEBI
- 95067
- ChEMBL
- CHEMBL1170047
- ZINC
- ZINC000033963533
- PDBe Ligand
- 33E
- Wikipedia
- Iniparib
- PDB Entries
- 4tki / 7f42
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Breast Cancer 1 3 Completed Treatment Solid Tumors 1 3 Completed Treatment Squamous Cell Lung Cancer 1 2 Completed Treatment Advanced Epithelial Ovarian Cancer / Primary Peritoneal Cancer 1 2 Completed Treatment Brain Metastases / Estrogen Receptor Negative (ER-Negative) Breast Cancer / Human Epidermal Growth Factor Receptor 2 Negative (HER2-Negative) Breast Cancer / Progesterone Receptor Negative (PR-Negative) Breast Cancer 1 2 Completed Treatment Breast Cancer 1 2 Completed Treatment Female Breast Cancer 1 2 Completed Treatment Metastatic Breast Cancer 1 2 Completed Treatment Ovarian Cancer 2 2 Completed Treatment Stage IV Non-small Cell Lung Cancer (NSCLC) 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.129 mg/mL ALOGPS logP 1.38 ALOGPS logP 1.69 Chemaxon logS -3.4 ALOGPS pKa (Strongest Acidic) 13 Chemaxon pKa (Strongest Basic) -0.68 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 86.23 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 54.82 m3·mol-1 Chemaxon Polarizability 20.24 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No 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
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Zinc ion binding
- Specific Function
- Involved in the base excision repair (BER) pathway, by catalyzing the poly(ADP-ribosyl)ation of a limited number of acceptor proteins involved in chromatin architecture and in DNA metabolism. This ...
- Gene Name
- PARP1
- Uniprot ID
- P09874
- Uniprot Name
- Poly [ADP-ribose] polymerase 1
- Molecular Weight
- 113082.945 Da
Drug created at August 14, 2017 17:56 / Updated at February 21, 2021 18:54