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

CHEMBL2171273

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)c1ccc2c(c1)[nH]c1ccccc12

Basic Information

ChEMBL ID CHEMBL2171273
Phase Preclinical
Structure Type MOL
InChI Key HSJIVJPREZQHFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
3.51
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13NO2
MW 239.27
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.20

Activity Summary

IC50 1 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3229
IC50 5.34 5.34 4600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
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