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Compound Detail

CHEMBL2220171

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COc1cc2cc(-c3cccc(-c4ccc(C(C)(C)C)cc4)c3)[n+](C)c(C)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220171
Phase Preclinical
Structure Type MOL
InChI Key MUGLYAZMLZAZFB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
6.62
ALogP
2
HBA
0
HBD
22.3
PSA (Ų)
0.34
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 C29H32NO2+
MW 426.58
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine