Compound Detail
CHEMBL2261920
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Basic Information
| ChEMBL ID | CHEMBL2261920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNZNHUNBVIKNJP-INIZCTEOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
3.10
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 7.4 | 7.4 | 40.0 | 1 |
| GABA A receptor alpha-4/beta-3/gamma-2 CHEMBL2111366 | Ki | 6.67 | 6.67 | 213.0 | 1 |
| GABA-A receptor; alpha-6/beta-3/gamma-2 CHEMBL2095190 | Ki | 6.51 | 6.51 | 308.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 40.0 | nM | 7.4 | Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alph... | - |
| GABA A receptor alpha-4/beta-3/gamma-2 | Ki | = | 213.0 | nM | 6.67 | Displacement of [3H]-Ro 15-4513 from Homo sapiens (human) recombinant GABAA alph... | - |
| GABA-A receptor; alpha-6/beta-3/gamma-2 | Ki | = | 308.0 | nM | 6.51 | Displacement of [3H]-Ro 15-4513 from Homo sapiens (human) recombinant GABAA alph... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-004-0033-7 | GABA-A receptor; alpha-6/beta-3/gamma-2 | 1 |
| - | 10.1007/s00044-004-0033-7 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
| - | 10.1007/s00044-004-0033-7 | GABA A receptor alpha-4/beta-3/gamma-2 | 1 |
| - | 10.1007/s00044-004-0033-7 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| - | 10.1007/s00044-004-0033-7 | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| - | 10.1007/s00044-004-0033-7 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine