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Compound Detail

CHEMBL1178297

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

Basic Information

ChEMBL ID CHEMBL1178297
Phase Preclinical
Structure Type MOL
InChI Key SZWQETPEJQKAPG-MDZDMXLPSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
4.08
ALogP
1
HBA
1
HBD
41.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20NO2+
MW 318.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.03

Data from ChEMBL 36 via Core Engine