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Compound Detail

CHEMBL3559188

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Cc1ccccc1C[n+]1ccc(-c2cc3ccccc3o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559188
Phase Preclinical
Structure Type MOL
InChI Key ZBDLZZYMMGUSON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
4.74
ALogP
1
HBA
0
HBD
17.0
PSA (Ų)
0.50
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 C21H18NO+
MW 300.38
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine