EcoDrugPlus


Synonyms	BSI-201 Iniparib
Status
Molecule Category	Free-form
UNII	2ZWI7KHK8F
EPA CompTox	DTXSID30166784

Synonyms

BSI-201

Iniparib

Status

Molecule Category

Free-form

UNII

2ZWI7KHK8F

EPA CompTox

DTXSID30166784


InChI Key	MDOJTZQKHMAPBK-UHFFFAOYSA-N
Smiles	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)

InChI Key

MDOJTZQKHMAPBK-UHFFFAOYSA-N

Smiles

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)

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

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

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

Mechanism of Action

Action

Reference

Reactive nitro radical

None

PubMed PubMed PubMed Other PubMed

Resources	Reference
ChEBI	95067
ChEMBL	CHEMBL1170047
DrugBank	DB13877
FDA SRS	2ZWI7KHK8F
Guide to Pharmacology	8360
PDB	33E
PubChem	9796068
SureChEMBL	SCHEMBL242006
ZINC	ZINC000033963533

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Guide to Pharmacology

PDB

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

INIPARIB

Structure

Physicochemical Descriptors

Pharmacology

Cross References