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Compound Detail

CHEMBL1196465

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CCn1cc(Cl)c(=Nc2cccc(CCc3ccc(OC(F)(F)F)cc3)c2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1196465
Phase Preclinical
Structure Type MOL
InChI Key BALLXLDFQBMJNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.3
MW (Da)
6.73
ALogP
3
HBA
0
HBD
26.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19Cl2F3N2O
MW 455.31
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.83

Data from ChEMBL 36 via Core Engine