Compound Detail
CHEMBL520411
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL520411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHWTVCHLMXAWGK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.88
ALogP
2
HBA
1
HBD
49.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 9.29 | 9.29 | 0.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.0 | 8.445 | 1.0 | 2 |
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 | = | 0.51 | nM | 9.29 | Displacement of [3H]flumazenil from human recombinant GABAA alpha-1-beta-2-gamma... | 18541432 |
| Unchecked | Ki | = | 1.0 | nM | 9.0 | Displacement of [3H]flumazenil from GABAA receptor in rat cortical membrane | 18541432 |
| Unchecked | Ki | = | 13.0 | nM | 7.89 | 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 | 4 |
| 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