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Compound Detail

CHEMBL605568

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CC(=O)Nc1ccc(OC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL605568
Phase Preclinical
Structure Type MOL
InChI Key ISIXBLAJIFBMQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
5.02
ALogP
5
HBA
2
HBD
80.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16F3N3O3
MW 415.37
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.53

Literature References

PubMed DOI Target Context # Activities
20143779 10.1021/jm901891p Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine