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Compound Detail

CHEMBL39511

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CN[C@@H]1CC[C@@H](c2cccc(OC)c2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39511
Phase Preclinical
Structure Type MOL
InChI Key ABQKZVVUGFTSFT-MAUKXSAKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

267.4
MW (Da)
3.88
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.91
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 C18H21NO
MW 267.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.40

Data from ChEMBL 36 via Core Engine