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

CHEMBL3589786

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
O=C(CCc1ccc(-c2cccc(O)c2)cc1)Nc1ccccc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3589786
Phase Preclinical
Structure Type MOL
InChI Key OIBIJDPQNVDTKB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
4.33
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19NO4
MW 361.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.47

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hydroxycarboxylic acid receptor 2
CHEMBL3785
 IC50 6.03 6.03 940.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hydroxycarboxylic acid receptor 2 IC50 = 940.0 nM 6.03 Displacement of [3H]-nicotinic acid from N-flag-tagged human HCA2 receptor expre... 25737085

Literature References

PubMed DOI Target Context # Activities
25737085 10.1016/j.bmc.2015.02.018 Hydroxycarboxylic acid receptor 2 2
25737085 10.1016/j.bmc.2015.02.018 Hydroxycarboxylic acid receptor 3 1

Data from ChEMBL 36 via Core Engine