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Compound Detail

CHEMBL3304300

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CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3304300
Phase Preclinical
Structure Type MOL
InChI Key KJLFMUMFLZAUPQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.9
MW (Da)
5.49
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClFNO2
MW 377.89
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.30

Data from ChEMBL 36 via Core Engine