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Compound Detail

CHEMBL1178295

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Cc1c[n+](CC(N)=O)ccc1/C=C/c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178295
Phase Preclinical
Structure Type MOL
InChI Key UWAIEWBPAPCNJN-MDZDMXLPSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

303.4
MW (Da)
3.09
ALogP
1
HBA
1
HBD
47.0
PSA (Ų)
0.74
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 C20H19N2O+
MW 303.38
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine