Compound Detail
CHEMBL3084704
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Basic Information
| ChEMBL ID | CHEMBL3084704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBTLJHIQAFDIPV-URLYPYJESA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
2.06
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycine receptor subunit alpha-1 CHEMBL3246 | IC50 | 7.3 | 5.85 | 50.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycine receptor subunit alpha-1 | IC50 | = | 50.12 | nM | 7.3 | Displacement of [3H]strychnine from GlyR high affinity site in Wistar rat spinal... | 19726200 |
| Glycine receptor subunit alpha-1 | IC50 | = | 5623.41 | nM | 5.25 | Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillat... | 19726200 |
| Glycine receptor subunit alpha-1 | IC50 | = | 10000.0 | nM | 5.0 | 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 |
Data from ChEMBL 36 via Core Engine