NAV

Iniparib

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
3D
Similar Structures
Weight
Average: 292.032
Monoisotopic: 291.93449
Chemical Formula
C7H5IN2O3
Synonyms
  • 4-iodo-3-nitrobenzamide
  • Iniparib
External IDs
  • BSI-201
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UPoly [ADP-ribose] polymerase 1Not AvailableHumans
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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
DrugInteraction
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Iniparib is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Iniparib is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Iniparib is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Iniparib is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Iniparib is combined with Bupivacaine.
Food Interactions
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
KEGG Drug
D09913
ChemSpider
7971834
ChEBI
95067
ChEMBL
CHEMBL1170047
ZINC
ZINC000033963533
PDBe Ligand
33E
Wikipedia
Iniparib
PDB Entries
4tki / 7f42

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentBreast Cancer1
3CompletedTreatmentSolid Tumors1
3CompletedTreatmentSquamous Cell Lung Cancer1
2CompletedTreatmentAdvanced Epithelial Ovarian Cancer / Primary Peritoneal Cancer1
2CompletedTreatmentBrain 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 Cancer1

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
PropertyValueSource
Water Solubility0.129 mg/mLALOGPS
logP1.38ALOGPS
logP1.69Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)13Chemaxon
pKa (Strongest Basic)-0.68Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area86.23 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity54.82 m3·mol-1Chemaxon
Polarizability20.24 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-143.43736
predicted
DeepCCS 1.0 (2019)
[M+H]+146.80376
predicted
DeepCCS 1.0 (2019)
[M+Na]+155.41873
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Poly [ADP-ribose] polymerase 1
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