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Compound Detail

CHEMBL4802861

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COc1ccc2cc3[n+](cc2c1OCc1cccc(Cl)c1)CCc1cc2c(cc1-3)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4802861
Phase Preclinical
Structure Type MOL
InChI Key QEDWUKAMQXUYNI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.9
MW (Da)
5.32
ALogP
4
HBA
0
HBD
40.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
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 0.54

Data from ChEMBL 36 via Core Engine