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Compound Detail

CHEMBL4300173

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

Basic Information

ChEMBL ID CHEMBL4300173
Phase Preclinical
Structure Type MOL
InChI Key WZAKOVBKOWWGLR-YLJYHZDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
6.18
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25F3N2
MW 398.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.36

Data from ChEMBL 36 via Core Engine