INIPARIB

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2ZWI7KHK8F

Structure
InChI Key MDOJTZQKHMAPBK-UHFFFAOYSA-N
Smile NC(=O)c1ccc(I)c([N+](=O)[O-])c1
InChI
InChI=1S/C7H5IN2O3/c8-5-2-1-4(7(9)11)3-6(5)10(12)13/h1-3H,(H2,9,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5IN2O3
Molecular Weight 292.03
AlogP 1.3
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 86.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
None Reactive nitro radical PubMed PubMed PubMed Other PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 3 D009369 ClinicalTrials
Carcinoma, Squamous Cell 3 D002294 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Retroviridae Infections 2 D012192 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 160003-66-7
ChEBI 95067
ChEMBL CHEMBL1170047
DrugBank DB13877
EPA CompTox DTXSID30166784
FDA SRS 2ZWI7KHK8F
Guide to Pharmacology 8360
PDB 33E
PubChem 9796068
SureChEMBL SCHEMBL242006
ZINC ZINC000033963533
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