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Compound Detail

CHEMBL4116752

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COc1ccc(F)cc1[C@H]1C[C@@H]1CNCc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116752
Phase Preclinical
Structure Type MOL
InChI Key QYAKRQGGDIIJRJ-HIFRSBDPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.87
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19F2NO
MW 303.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.72

Data from ChEMBL 36 via Core Engine