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Compound Detail

CHEMBL440335

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[O-]c1c2c(nn1-c1ccc(Cl)cc1)c1ccccc1c[n+]2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL440335
Phase Preclinical
Structure Type MOL
InChI Key OJYYOWALIBFIND-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
4.24
ALogP
3
HBA
0
HBD
44.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16ClN3O
MW 385.85
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
1310121 10.1021/jm00080a024 GABA-A receptor; anion channel 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine