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Compound Detail

CHEMBL1829158

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O=C(O)CCc1ccc(C#Cc2ccnc(F)c2)cc1

Basic Information

ChEMBL ID CHEMBL1829158
Phase Preclinical
Structure Type MOL
InChI Key DVZPUDJNVCUGQO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
2.64
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.69
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 C16H12FNO2
MW 269.28
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.63

Activity Summary

EC50 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Free fatty acid receptor 1
CHEMBL4422
EC50 6.29 6.29 512.9 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