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

CHEMBL374646

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
CC(C(=O)O)c1ccc2c3cc(Cl)ccc3n(S(=O)(=O)c3ccc(Cl)cc3)c2c1

Basic Information

ChEMBL ID CHEMBL374646
Phase Preclinical
Structure Type MOL
InChI Key NFVPESCFFWEAEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

448.3
MW (Da)
5.53
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15Cl2NO4S
MW 448.33
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 5.32

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 5.32 5.32 4800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17181139 10.1021/jm0610200 Unchecked 3
23043222 10.1021/jm3011146 Prostaglandin G/H synthase 2 1
23043222 10.1021/jm3011146 Prostaglandin G/H synthase 1 1
23043222 10.1021/jm3011146 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine