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Compound Detail

CHEMBL208175

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CNC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1

Basic Information

ChEMBL ID CHEMBL208175
Phase Preclinical
Structure Type MOL
InChI Key VUSAJIZKUKKXAK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
4.77
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.61
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 C23H24N2O2
MW 360.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.95

Activity Summary

EC50 1 meas. best 7.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 7.31 7.31 49.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 1 EC50 = 48.98 nM 7.31 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