Compound Detail
CHEMBL98503
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Basic Information
| ChEMBL ID | CHEMBL98503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJRKQUXFDHDYET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
2.77
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.17 | 7.17 | 67.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 67.61 | nM | 7.17 | Binding affinity towards benzodiazepine receptor inverse agonist site by the dis... | 8411009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8411009 | 10.1021/jm00072a012 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine