Compound Detail
CHEMBL289060
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Basic Information
| ChEMBL ID | CHEMBL289060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVRYIDIUBFYXFE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.12
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094116 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1.0 | nM | 9.0 | Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2... | 2213824 |
| Serotonin 3 (5-HT3) receptor | Ki | = | 0.99 | nM | 9.0 | In vitro displacement of [3H]ICS-205-930 from 5-hydroxytryptamine 3 receptor in ... | 2296012 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296012 | 10.1021/jm00163a003 | Rattus norvegicus | 2 |
| 2213824 | 10.1021/jm00172a006 | Unchecked | 1 |
| 2296012 | 10.1021/jm00163a003 | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine