Compound Detail
CHEMBL99458
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Basic Information
| ChEMBL ID | CHEMBL99458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBTQIFIXVBKFBF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
2.10
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 5.3 | nM | 8.28 | Displacement of [3H]diazepam from rat cerebral cortex benzodiazepine receptor | 8709114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709114 | 10.1021/jm9600609 | Mus musculus | 2 |
| 8709114 | 10.1021/jm9600609 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine