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Compound Detail

CHEMBL389699

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CC[C@H](C)COc1ccc(C(CC(=O)O)c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL389699
Phase Preclinical
Structure Type MOL
InChI Key WUSUIPCZTUWOIS-FUKCDUGKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
4.72
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24O3
MW 312.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.02

Activity Summary

EC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 6.52 6.52 302.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17500511 10.1021/jm070130j Free fatty acid receptor 1 4
21854074 10.1021/jm2005699 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine