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Compound Detail

CHEMBL4802812

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

Basic Information

ChEMBL ID CHEMBL4802812
Phase Preclinical
Structure Type MOL
InChI Key NMQSOAPOAUZPPJ-SCZZXKLOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
2.50
ALogP
3
HBA
1
HBD
48.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15NO2
MW 217.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.74

Data from ChEMBL 36 via Core Engine