Compound Detail
CHEMBL471551
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Basic Information
| ChEMBL ID | CHEMBL471551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXMRVZANJZUNED-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
3.46
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 9.42 | 9.42 | 0.4 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.05 | 8.8 | 0.9 | 3 |
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 | = | 0.38 | nM | 9.42 | Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma... | 18541432 |
| Unchecked | Ki | = | 0.9 | nM | 9.05 | Displacement of [3H]flumazenil from GABAA receptor in rat cortical membrane | 18541432 |
| Unchecked | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]flumazenil from human recombinant GABAA alpha-2-beta-2-gamma... | 18541432 |
| Unchecked | Ki | = | 2.8 | nM | 8.55 | Displacement of [3H]flumazenil from human recombinant GABAA alpha-3-beta-2-gamma... | 18541432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18541432 | 10.1016/j.bmc.2008.05.049 | Unchecked | 5 |
| 18541432 | 10.1016/j.bmc.2008.05.049 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine