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Compound Detail

CHEMBL1829152

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COc1nccc(C#Cc2ccc(CCC(=O)O)cc2)n1

Basic Information

ChEMBL ID CHEMBL1829152
Phase Preclinical
Structure Type MOL
InChI Key QYLXOZFONJBCMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
1.90
ALogP
4
HBA
1
HBD
72.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O3
MW 282.30
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.51

Activity Summary

EC50 1 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 5.02 5.02 9549.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21854074 10.1021/jm2005699 Free fatty acid receptor 1 2

Data from ChEMBL 36 via Core Engine