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Compound Detail

CHEMBL4802839

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C=C(C)COc1ccc2occc2c1[C@H]1C[C@@H]1CN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802839
Phase Preclinical
Structure Type MOL
InChI Key ZRGVKOKOPNPXHE-YPMHNXCESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
3.45
ALogP
3
HBA
1
HBD
48.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19NO2
MW 257.33
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.34

Data from ChEMBL 36 via Core Engine