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Compound Detail

CHEMBL4650884

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C[C@@]12C[C@@H]1CC(COc1cccnc1)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4650884
Phase Preclinical
Structure Type MOL
InChI Key SLXGVSHQIUXHQI-VXFCFVAISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

204.3
MW (Da)
1.60
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.81
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 C12H16N2O
MW 204.27
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.07

Data from ChEMBL 36 via Core Engine