Compound Detail
CHEMBL3084708
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Basic Information
| ChEMBL ID | CHEMBL3084708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGAYVVNWRFPKMG-FICVDOATSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
2.96
ALogP
4
HBA
0
HBD
34.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycine receptor subunit alpha-1 CHEMBL3246 | IC50 | 7.99 | 6.47 | 10.2 | 3 |
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycine receptor subunit alpha-1 | IC50 | = | 10.23 | nM | 7.99 | Displacement of [3H]strychnine from GlyR high affinity site in Wistar rat spinal... | 19726200 |
| 5-hydroxytryptamine receptor 3A | IC50 | = | 18.0 | nM | 7.75 | Displacement of [3H]granisectron from 5HT3 receptor in Wistar rat forebrain | 19726200 |
| Glycine receptor subunit alpha-1 | IC50 | = | 1584.89 | nM | 5.8 | Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillat... | 19726200 |
| Glycine receptor subunit alpha-1 | IC50 | = | 2398.83 | nM | 5.62 | Displacement of [3H]strychnine from GlyR low affinity site in Wistar rat spinal ... | 19726200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19726200 | 10.1016/j.bmc.2009.08.029 | Glycine receptor subunit alpha-1 | 4 |
| 19726200 | 10.1016/j.bmc.2009.08.029 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine