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

CHEMBL468986

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
Cc1cccc(NC(=S)NC2CC(C)(C)Oc3ccc(Cl)cc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL468986
Phase Preclinical
Structure Type MOL
InChI Key JUCCYTSUCUSIEW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.9
MW (Da)
5.24
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.72
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21ClN2OS
MW 360.91
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.23

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18406154 10.1016/j.bmc.2008.03.065 Unchecked 1
18406154 10.1016/j.bmc.2008.03.065 Aorta 1

Data from ChEMBL 36 via Core Engine