Compound Detail
CHEMBL2052026
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Basic Information
| ChEMBL ID | CHEMBL2052026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOXBTUWPBDHMSU-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
2.74
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 8.23 | 8.135 | 5.9 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 5.9 | nM | 8.23 | Binding affinity against benzodiazepine site of gamma-aminobutyric-acid A recept... | 7837226 |
| GABA-A receptor; anion channel | IC50 | = | 5.9 | nM | 8.23 | Binding affinity against the BZD site of the Gamma-aminobutyric acid A receptor ... | - |
| GABA-A receptor; anion channel | IC50 | = | 9.1 | nM | 8.04 | Binding affinity against benzodiazepine site of gamma-aminobutyric-acid A recept... | 7837226 |
| GABA-A receptor; anion channel | IC50 | = | 9.1 | nM | 8.04 | Binding affinity against the BZD site of the Gamma-aminobutyric acid A receptor ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00025-X | Unchecked | 4 |
| 7837226 | 10.1021/jm00001a005 | GABA-A receptor; anion channel | 3 |
| - | 10.1016/0960-894X(96)00025-X | GABA-A receptor; anion channel | 3 |
| - | 10.1016/0960-894X(96)00025-X | Rattus norvegicus | 2 |
| 7837226 | 10.1021/jm00001a005 | Mus musculus | 1 |
| 7837226 | 10.1021/jm00001a005 | Rattus norvegicus | 1 |
| - | 10.1016/0960-894X(96)00025-X | Mus sp. | 1 |
| - | 10.1016/0960-894X(96)00025-X | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine