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Compound Detail

CHEMBL1187195

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COc1cccc([C@H]2C[C@@H]2CN)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187195
Phase Preclinical
Structure Type MOL
InChI Key AJKHCYJJCNCJBK-MWLCHTKSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
1.76
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H15NO
MW 177.25
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.16

Data from ChEMBL 36 via Core Engine