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Compound Detail

CHEMBL340064

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COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC(F)(F)F)cc2)C[C@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL340064
Phase Preclinical
Structure Type MOL
InChI Key MCHBEHPBWGBBDV-OTYXRUKQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

343.3
MW (Da)
3.28
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16F3NO4
MW 343.30
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.42

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7562939 10.1021/jm00020a019 Mus musculus 2
7562939 10.1021/jm00020a019 ADMET 2
7562939 10.1021/jm00020a019 Rattus norvegicus 2
7562939 10.1021/jm00020a019 Sodium channel alpha subunits; brain (Types I, II, III) 1

Data from ChEMBL 36 via Core Engine