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Compound Detail

CHEMBL4302875

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COC(=O)c1c[n+](Cc2cccc(Cl)c2)ccc1CCC(=O)c1ccc(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302875
Phase Preclinical
Structure Type MOL
InChI Key XQGGLAABIKOXNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.9
MW (Da)
4.30
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25ClNO5+
MW 454.93
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine