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Compound Detail

CHEMBL4117989

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COc1cc2c(cc1OC)C(=O)C(Cc1cc[n+](Cc3cccc(C)c3)cc1C(C)=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117989
Phase Preclinical
Structure Type MOL
InChI Key OOVWJKDNMPDEIH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.15
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.42
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 C27H28NO4+
MW 430.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine