OLTIPRAZ

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6N510JUL1Y

Structure
InChI Key CKNAQFVBEHDJQV-UHFFFAOYSA-N
Smile 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

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6N2S3
Molecular Weight 226.35
AlogP 3.3
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 25.78
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - 9000 -
Enzyme Phosphatase Protein Phosphatase Tyrosine protein phosphatase
- - - - 50-70

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Non-alcoholic Fatty Liver Disease 3 D065626 ClinicalTrials
Liver Cirrhosis 2 D008103 ClinicalTrials
Lung Neoplasms 1 D008175 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 64224-21-1
ChEBI 77319
ChEMBL CHEMBL178459
DrugBank DB12539
EPA CompTox DTXSID7021079
FDA SRS 6N510JUL1Y
Human Metabolome Database HMDB0041967
PubChem 47318
SureChEMBL SCHEMBL241164
ZINC ZINC000000001852
CONTENTS