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Compound Detail

CHEMBL203520

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CC(Cc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL203520
Phase Preclinical
Structure Type MOL
InChI Key UUHXKXNZMPQXFC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
5.35
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23NO3
MW 361.44
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.57

Activity Summary

EC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 1 EC50 = 100.0 nM 7.0 Agonist potency at human GPR40 expressed in CHO cells 16439116

Literature References

PubMed DOI Target Context # Activities
16439116 10.1016/j.bmcl.2006.01.007 Free fatty acid receptor 1 2

Data from ChEMBL 36 via Core Engine