Compound Detail
CHEMBL3084706
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Basic Information
| ChEMBL ID | CHEMBL3084706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTIOAVUBNSKIPD-ITGUQSILSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
2.61
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Glycine receptor subunit alpha-1 CHEMBL3246 | IC50 | 6.63 | 6.63 | 234.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | IC50 | = | 32.0 | nM | 7.5 | Displacement of [3H]granisectron from 5HT3 receptor in Wistar rat forebrain | 19726200 |
| Glycine receptor subunit alpha-1 | IC50 | = | 234.42 | nM | 6.63 | Displacement of [3H]strychnine from GlyR in Wistar rat spinal cord by scintillat... | 19726200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19726200 | 10.1016/j.bmc.2009.08.029 | Glycine receptor subunit alpha-1 | 2 |
| 19726200 | 10.1016/j.bmc.2009.08.029 | 5-hydroxytryptamine receptor 3A | 1 |
Data from ChEMBL 36 via Core Engine