Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL122688

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
[O-]c1c2c(nn1-c1ccccc1)c1ccccc1c[n+]2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122688
Phase Preclinical
Structure Type MOL
InChI Key BQGBYYQHEBTTPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.59
ALogP
3
HBA
0
HBD
44.8
PSA (Ų)
0.47
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 C23H17N3O
MW 351.41
Aromatic Rings 5
Heavy Atoms 27
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