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Compound Detail

CHEMBL4789214

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CCOC(=O)N1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4789214
Phase Preclinical
Structure Type MOL
InChI Key BABUSVPCCWYOPF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.3
MW (Da)
3.47
ALogP
4
HBA
2
HBD
79.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19F4N3O4
MW 393.34
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
33007552 10.1016/j.bmc.2020.115735 No relevant target 2
33007552 10.1016/j.bmc.2020.115735 Bifunctional epoxide hydrolase 2 2

Data from ChEMBL 36 via Core Engine