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Compound Detail

CHEMBL4116248

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COC(=O)c1c[n+](Cc2ccccc2C)ccc1CC1Cc2cc(OC)c(OC)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116248
Phase Preclinical
Structure Type MOL
InChI Key OQTFGAPLIYDDDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
3.73
ALogP
5
HBA
0
HBD
65.7
PSA (Ų)
0.41
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 C27H28NO5+
MW 446.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness 0.28

Data from ChEMBL 36 via Core Engine