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Compound Detail

CHEMBL244213

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

Basic Information

ChEMBL ID CHEMBL244213
Phase Preclinical
Structure Type MOL
InChI Key VGZHWXAFILGMSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

248.2
MW (Da)
2.88
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.85
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 C14H10F2O2
MW 248.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.54

Literature References

PubMed DOI Target Context # Activities
17399985 10.1016/j.bmc.2007.03.012 Cocaine esterase 2
- 10.6019/CHEMBL3301361 No relevant target 2
17399985 10.1016/j.bmc.2007.03.012 Liver carboxylesterase 1 1
17399985 10.1016/j.bmc.2007.03.012 Unchecked 1
17399985 10.1016/j.bmc.2007.03.012 Cholinesterase 1
17399985 10.1016/j.bmc.2007.03.012 Acetylcholinesterase 1

Data from ChEMBL 36 via Core Engine