Compound Detail
CHEMBL3144613
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Basic Information
| ChEMBL ID | CHEMBL3144613 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHKXONVHLYVBLO-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
315.8
MW (Da)
3.89
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Ki 1 meas. best 9.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 9.11 | 9.11 | 0.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 0.78 | nM | 9.11 | Binding affinity against benzodiazepine (BZ) receptor by displacing [3H]diazepam... | 2842502 |
| Unchecked | IC50 | = | 1.096 | nM | 8.96 | Displacement of [3H]diazepam from GABAA/BzR in rat brain membrane | 17964693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2842502 | 10.1021/jm00117a012 | Mus musculus | 3 |
| 2842502 | 10.1021/jm00117a012 | GABA-A receptor; anion channel | 1 |
| 17964693 | 10.1016/j.ejmech.2007.09.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine