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Compound Detail

CHEMBL1185702

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

Basic Information

ChEMBL ID CHEMBL1185702
Phase Preclinical
Structure Type MOL
InChI Key IQFUOTZRCDGCCH-MDZDMXLPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
3.89
ALogP
1
HBA
0
HBD
20.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18NO+
MW 288.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.23

Data from ChEMBL 36 via Core Engine