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Compound Detail

CHEMBL203297

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O=C(NO)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL203297
Phase Preclinical
Structure Type MOL
InChI Key BRCYLYCBRKNPOD-YADHBBJMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
4.70
ALogP
4
HBA
3
HBD
70.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O3
MW 374.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.78

Activity Summary

EC50 1 meas. best 7.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
 EC50 7.83 7.83 14.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Free fatty acid receptor 1 EC50 = 14.79 nM 7.83 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