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Compound Detail

CHEMBL1164451

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COC(=O)c1ccccc1NC(=O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1164451
Phase Preclinical
Structure Type MOL
InChI Key UDEDDHDBRSUZQD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
1.97
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.81
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 C10H8F3NO3
MW 247.17
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
20494587 10.1016/j.bmc.2010.04.083 Thermolysin 1

Data from ChEMBL 36 via Core Engine