Compound Detail
CHEMBL2261632
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Basic Information
| ChEMBL ID | CHEMBL2261632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRYMDEDOGKKRIT-LBPRGKRZSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
365.3
MW (Da)
2.88
ALogP
5
HBA
0
HBD
64.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 8.37 | 8.37 | 4.3 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 7.47 | 7.47 | 34.0 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 7.47 | 7.47 | 34.0 | 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 | = | 4.3 | nM | 8.37 | Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alph... | - |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alph... | - |
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 34.0 | nM | 7.47 | Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alph... | - |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 34.0 | nM | 7.47 | Displacement of [3H]-Ro 15-1788 from Homo sapiens (human) recombinant GABAA alph... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-004-0033-7 | Unchecked | 1 |
| - | 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