EcoDrugPlus


Synonyms	NSC-347901 Oltipraz
Status
Molecule Category	Free-form
UNII	6N510JUL1Y
EPA CompTox	DTXSID7021079

Synonyms

NSC-347901

Oltipraz

Status

Molecule Category

Free-form

UNII

6N510JUL1Y

EPA CompTox

DTXSID7021079


InChI Key	CKNAQFVBEHDJQV-UHFFFAOYSA-N
Smiles	Cc1c(-c2cnccn2)ssc1=S
InChI	InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3

InChI Key

CKNAQFVBEHDJQV-UHFFFAOYSA-N

Smiles

Cc1c(-c2cnccn2)ssc1=S

InChI

InChI=1S/C8H6N2S3/c1-5-7(12-13-8(5)11)6-4-9-2-3-10-6/h2-4H,1H3

Property Name	Value
Molecular Formula	C8H6N2S3
Molecular Weight	226.35
AlogP	3.3
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	1.0
Polar Surface Area	25.78
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C8H6N2S3

Molecular Weight

226.35

AlogP

3.3

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

1.0

Polar Surface Area

25.78

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

13.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase	-	-	-	-	50-70

Targets

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase

50-70

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	36-70

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

36-70

Resources	Reference
ChEBI	77319
ChEMBL	CHEMBL178459
DrugBank	DB12539
FDA SRS	6N510JUL1Y
Human Metabolome Database	HMDB0041967
PubChem	47318
SureChEMBL	SCHEMBL241164
ZINC	ZINC000000001852

Resources

Reference

ChEBI

ChEMBL

DrugBank

FDA SRS

Human Metabolome Database

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

OLTIPRAZ

Structure

Physicochemical Descriptors

Pharmacology

Cross References