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Compound Detail

CHEMBL2220347

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COc1cccc2cc(C(=O)/C=C/c3cc[n+](Cc4ccc(CCl)cc4)cc3)c(=O)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220347
Phase Preclinical
Structure Type MOL
InChI Key VGHADGWAQLQJMZ-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.9
MW (Da)
4.77
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.13
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H21ClNO4+
MW 446.91
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine