Compound Detail
CHEMBL485829
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Basic Information
| ChEMBL ID | CHEMBL485829 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNQZCUNPKHMCQJ-UHFFFAOYSA-N |
2
Targets
7
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.37
ALogP
7
HBA
0
HBD
76.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.77
Kd 2 meas. best 9.05
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.05 | 9.05 | 0.9 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.77 | 7.1367 | 17.0 | 3 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | Kd | 6.06 | 6.06 | 878.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.9 | nM | 9.05 | Displacement of [3H]Ro15-1788 from rat GABAA alpha-1H101Cbeta-2-gamma-2 mutant r... | 17626010 |
| Unchecked | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]Ro15-1788 from rat GABAA alpha-1-beta-2-gamma-2S receptor ex... | 17626010 |
| Unchecked | EC50 | = | 17.0 | nM | 7.77 | Activity at rat wild type GABAA alpha-1H101Cbeta-2-gamma-2 mutant receptor expre... | 17626010 |
| Unchecked | EC50 | = | 34.0 | nM | 7.47 | Activity at rat wild type GABAA alpha-1G157Cbeta-2-gamma-2 mutant receptor expre... | 17626010 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | EC50 | = | 250.0 | nM | 6.6 | Activity at rat wild type GABAA alpha-1-beta-2-gamma-2 receptor expressed in xen... | 17626010 |
| Unchecked | EC50 | = | 668.0 | nM | 6.17 | Activity at rat wild type GABAA alpha-1V202Cbeta-2-gamma-2 mutant receptor expre... | 17626010 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Kd | = | 878.0 | nM | 6.06 | Displacement of [3H]Ro15-1788 from rat GABAA alpha-1-beta-2-gamma-2 receptor exp... | 17626010 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17626010 | 10.1074/jbc.m702153200 | Unchecked | 28 |
| 17626010 | 10.1074/jbc.m702153200 | Gamma-aminobutyric acid receptor subunit alpha-1 | 7 |
Data from ChEMBL 36 via Core Engine