Compound Detail
CHEMBL111084
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Basic Information
| ChEMBL ID | CHEMBL111084 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDPPZHPTDMQNBE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
191.3
MW (Da)
3.55
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 4.8 | 4.8 | 15848.9 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.8 | 4.8 | 15848.9 | 1 |
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 | EC50 | = | 15848.93 | nM | 4.8 | Potentiation of GABA responses at human Gamma-aminobutyric acid A receptor alpha... | 12109905 |
| Unchecked | EC50 | = | 15848.93 | nM | 4.8 | Binding affinity to apoferritin by isothermal titration calorimetry | 19520579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12109905 | 10.1021/jm010461a | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 12109905 | 10.1021/jm010461a | Xenopus laevis | 1 |
| 12109905 | 10.1021/jm010461a | No relevant target | 1 |
| 19520579 | 10.1016/j.bmc.2009.05.060 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine