EcoDrugPlus


Synonyms	NSC-130181 SR-259075 SR259075 Tirapazamine WIN 59075 WIN-59075
Status
Molecule Category	Free-form
UNII	1UD32YR59G

Synonyms

NSC-130181

SR-259075

SR259075

Tirapazamine

WIN 59075

WIN-59075

Status

Molecule Category

Free-form

UNII

1UD32YR59G


InChI Key	ORYDPOVDJJZGHQ-UHFFFAOYSA-N
Smiles	Nc1n[n+]([O-])c2ccccc2[n+]1[O-]
InChI	InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)

InChI Key

ORYDPOVDJJZGHQ-UHFFFAOYSA-N

Smiles

Nc1n[n+]([O-])c2ccccc2[n+]1[O-]

InChI

InChI=1S/C7H6N4O2/c8-7-9-11(13)6-4-2-1-3-5(6)10(7)12/h1-4H,(H2,8,9)

Property Name	Value
Molecular Formula	C7H6N4O2
Molecular Weight	178.15
AlogP	-0.92
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Polar Surface Area	92.79
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C7H6N4O2

Molecular Weight

178.15

AlogP

-0.92

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

1.0

Polar Surface Area

92.79

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

13.0

Resources	Reference
ChEBI	78887
ChEMBL	CHEMBL50882
DrugBank	DB04858
FDA SRS	1UD32YR59G
PubChem	135413511
SureChEMBL	SCHEMBL4048
ZINC	ZINC000001607808

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

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

TIRAPAZAMINE

Structure

Physicochemical Descriptors

Cross References