Compound Detail
CHEMBL2261915
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Basic Information
| ChEMBL ID | CHEMBL2261915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTTJSPTYQMWSNO-LBPRGKRZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
444.2
MW (Da)
3.64
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 7.24 | 7.24 | 57.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 6.61 | 6.61 | 245.0 | 1 |
| GABA A receptor alpha-4/beta-3/gamma-2 CHEMBL2111366 | Ki | 6.54 | 6.54 | 291.0 | 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 | = | 57.0 | nM | 7.24 | Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alph... | - |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 245.0 | nM | 6.61 | Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alph... | - |
| GABA A receptor alpha-4/beta-3/gamma-2 | Ki | = | 291.0 | nM | 6.54 | 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