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Compound Detail

CHEMBL475027

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O=C(O)[C@H]1[C@@H]2Oc3cc(Oc4ccc(C(F)(F)F)cc4Cl)ccc3[C@@H]21

Basic Information

ChEMBL ID CHEMBL475027
Phase Preclinical
Structure Type MOL
InChI Key LUOBBBRZVISPTB-RBSFLKMASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.7
MW (Da)
4.71
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H10ClF3O4
MW 370.71
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.18

Activity Summary

EC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 1 EC50 = 0.1 nM 10.0 Agonist activity at GPR40 expressed in CHO cells by FLIPR assay 18993064

Literature References

PubMed DOI Target Context # Activities
18993064 10.1016/j.bmcl.2008.10.085 Free fatty acid receptor 1 1

Data from ChEMBL 36 via Core Engine