Compound Detail
CHEMBL495615
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Basic Information
| ChEMBL ID | CHEMBL495615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCTWTQNQVBDHCG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.3
MW (Da)
3.20
ALogP
4
HBA
2
HBD
105.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095167 | Ki | 6.71 | 6.71 | 195.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.52 | 6.52 | 300.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL341 | Ki | 6.09 | 6.09 | 810.0 | 1 |
| GABA A receptor alpha-5/beta-3/gamma-2 CHEMBL2111374 | Ki | 5.85 | 5.85 | 1420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 | Ki | = | 195.0 | nM | 6.71 | Displacement of [3H]flumazenil from rat GABA-A alpha-1-beta-2-gamma-2 receptor e... | 19469479 |
| Unchecked | Ki | = | 300.0 | nM | 6.52 | Displacement of [3H]flumazenil from Benzodiazepine receptor in bovine cerebral c... | 19469479 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Ki | = | 810.0 | nM | 6.09 | Displacement of [3H]flumazenil from rat GABA-A alpha-2-beta-2-gamma-2 receptor e... | 19469479 |
| GABA A receptor alpha-5/beta-3/gamma-2 | Ki | = | 1420.0 | nM | 5.85 | Displacement of [3H]flumazenil from rat GABA-A alpha-5-beta-3-gamma-2 receptor e... | 19469479 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19469479 | 10.1021/jm9001154 | Unchecked | 1 |
| 19469479 | 10.1021/jm9001154 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 19469479 | 10.1021/jm9001154 | Gamma-aminobutyric acid receptor subunit alpha-2 | 1 |
| 19469479 | 10.1021/jm9001154 | GABA A receptor alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine