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Compound Detail

CHEMBL3559213

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Cc1cc(C)cc(C[n+]2ccc(-c3cc4ccccc4o3)cc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3559213
Phase Preclinical
Structure Type MOL
InChI Key RZAWPXAORRVHHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
5.05
ALogP
1
HBA
0
HBD
17.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20NO+
MW 314.41
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine