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Compound Detail

CHEMBL4117953

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COc1ccccc1CNC[C@H]1C[C@@H]1c1cc(F)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117953
Phase Preclinical
Structure Type MOL
InChI Key ZTMZRHFENROFGY-ZBFHGGJFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.74
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22FNO2
MW 315.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine