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Compound Detail

CHEMBL122288

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COc1ccc(-n2nc3c4ccccc4c[n+](Cc4ccccc4)c3c2[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122288
Phase Preclinical
Structure Type MOL
InChI Key OVCJEGPNQDWGOL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.4
MW (Da)
3.60
ALogP
4
HBA
0
HBD
54.0
PSA (Ų)
0.45
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 C24H19N3O2
MW 381.44
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
1310121 10.1021/jm00080a024 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine