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

CHEMBL497955

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
CC1(C)CC(NC(=S)Nc2ccc(Cl)cc2)c2cc(F)ccc2O1

Basic Information

ChEMBL ID CHEMBL497955
Phase Preclinical
Structure Type MOL
InChI Key GMBLMUZJVSLMTG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

364.9
MW (Da)
5.07
ALogP
2
HBA
2
HBD
33.3
PSA (Ų)
0.73
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 C18H18ClFN2OS
MW 364.87
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.64 5.64 2300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 2300.0 nM 5.64 Inhibition of glucose-induced insulin secretion in Wistar rat pancreatic beta is... 18406154

Literature References

PubMed DOI Target Context # Activities
18406154 10.1016/j.bmc.2008.03.065 Molecular identity unknown 7
18406154 10.1016/j.bmc.2008.03.065 Unchecked 3
18406154 10.1016/j.bmc.2008.03.065 Aorta 2

Data from ChEMBL 36 via Core Engine