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Compound Detail

CHEMBL1183070

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CCOC(=O)C(C(=O)OCC)[n+]1ccc(/C=C/c2cccc3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183070
Phase Preclinical
Structure Type MOL
InChI Key XIXXBESWGAFMEO-OUKQBFOZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
3.97
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.35
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 C24H24NO4+
MW 390.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.27

Data from ChEMBL 36 via Core Engine