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Compound Detail

CHEMBL3306226

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C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(c1ccccc1)CC[N+]2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3306226
Phase Preclinical
Structure Type MOL
InChI Key VTKBPVRIFVCHIU-IWMITWMQSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.72
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26NO+
MW 308.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.28

Data from ChEMBL 36 via Core Engine