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Compound Detail

CHEMBL5221485

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C[N+](C)(CCOc1ccc(/C=C/c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5221485
Phase Preclinical
Structure Type MOL
InChI Key FMVHOYANGPCSTQ-CMDGGOBGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

402.6
MW (Da)
6.28
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36NO+
MW 402.60
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine