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Compound Detail

CHEMBL2386359

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O=C(O)CCc1ccc(C#Cc2ccccc2)cc1F

Basic Information

ChEMBL ID CHEMBL2386359
Phase Preclinical
Structure Type MOL
InChI Key KWFZBQFFLDIYMD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
3.24
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.87
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 C17H13FO2
MW 268.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.81

Activity Summary

EC50 2 meas. best 7.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 7.45 7.45 35.5 1
Free fatty acid receptor 4
CHEMBL5339
EC50 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23687558 10.1021/ml4000673 Free fatty acid receptor 4 2
23687558 10.1021/ml4000673 Free fatty acid receptor 1 2
23687558 10.1021/ml4000673 Unchecked 1

Data from ChEMBL 36 via Core Engine