Compound Detail
CHEMBL191088
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Basic Information
| ChEMBL ID | CHEMBL191088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRRVSALMQDOQAX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
342.7
MW (Da)
1.96
ALogP
6
HBA
1
HBD
80.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095167 | Ki | 8.74 | 8.74 | 1.8 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| GABA A receptor alpha-5/beta-3/gamma-2 CHEMBL2111374 | Ki | 8.12 | 8.12 | 7.6 | 1 |
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111327 | Ki | 7.75 | 7.75 | 18.0 | 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 | = | 1.82 | nM | 8.74 | Displacement of [3H]flumazenil from rat GABA-A Gamma-aminobutyric acid A recepto... | 15828832 |
| GABA-A receptor; anion channel | Ki | = | 6.0 | nM | 8.22 | Displacement of [3H]flumazenil from bovine benzodiazepine receptor GABA-A channe... | 15828832 |
| GABA A receptor alpha-5/beta-3/gamma-2 | Ki | = | 7.57 | nM | 8.12 | Displacement of [3H]flumazenil from rat GABA-A Gamma-aminobutyric acid A recepto... | 15828832 |
| GABA A receptor alpha-2/beta-2/gamma-2 | Ki | = | 18.0 | nM | 7.75 | Displacement of [3H]flumazenil from rat GABA-A Gamma-aminobutyric acid A recepto... | 15828832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828832 | 10.1021/jm0408722 | GABA-A receptor; anion channel | 1 |
| 15828832 | 10.1021/jm0408722 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 15828832 | 10.1021/jm0408722 | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
| 15828832 | 10.1021/jm0408722 | GABA A receptor alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine