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Compound Detail

CHEMBL40388

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CN[C@@H]1CC[C@@H](c2ccc(Oc3ccccc3)cc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL40388
Phase Preclinical
Structure Type MOL
InChI Key FXIJJIKEXAMLJU-NZQKXSOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
5.67
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23NO
MW 329.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.30

Data from ChEMBL 36 via Core Engine