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Compound Detail

CHEMBL1669711

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COC(=O)/C=C/c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1669711
Phase Preclinical
Structure Type MOL
InChI Key HSNCAEKOZRUMTB-QPJJXVBHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

180.2
MW (Da)
2.01
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9FO2
MW 180.18
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.22

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
21237663 10.1016/j.bmc.2010.12.039 Lactoylglutathione lyase 1

Data from ChEMBL 36 via Core Engine