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Compound Detail

CHEMBL2386365

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O=C(O)CCc1ccc(C#Cc2cc(Cl)cc(Cl)c2)cc1F

Basic Information

ChEMBL ID CHEMBL2386365
Phase Preclinical
Structure Type MOL
InChI Key XGXBPJNMEMVRKQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.2
MW (Da)
4.55
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.83
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 C17H11Cl2FO2
MW 337.18
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.88

Activity Summary

EC50 2 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 7.42 7.42 38.0 1
Free fatty acid receptor 4
CHEMBL5339
EC50 5.5 5.5 3162.3 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

Data from ChEMBL 36 via Core Engine