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Compound Detail

CHEMBL4300082

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C[C@@H](N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300082
Phase Preclinical
Structure Type MOL
InChI Key WIYDYKWLBJKUNO-SJLPKXTDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

400.4
MW (Da)
5.67
ALogP
3
HBA
1
HBD
24.5
PSA (Ų)
0.60
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 C23H23F3N2O
MW 400.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.34

Data from ChEMBL 36 via Core Engine