Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL94512

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc2nc(N)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL94512
Phase Preclinical
Structure Type MOL
InChI Key DZWTXWPRWRLHIL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

164.2
MW (Da)
2.19
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H8N2S
MW 164.23
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -2.29

Literature References

PubMed DOI Target Context # Activities
19502068 10.1016/j.bmc.2009.05.039 Radical scavenging activity 2
10425092 10.1021/jm980202u Rattus norvegicus 1
10425092 10.1021/jm980202u No relevant target 1
24262887 10.1016/j.bmc.2013.10.037 Indoleamine 2,3-dioxygenase 1 1
29472125 10.1016/j.bmc.2018.02.004 D-amino-acid oxidase 1
32739649 10.1016/j.ejmech.2020.112556 HeLa 1

Data from ChEMBL 36 via Core Engine