Compound Detail
CHEMBL115415
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Basic Information
| ChEMBL ID | CHEMBL115415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQTZMTMTBWAQAI-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
283.4
MW (Da)
2.99
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.1 | 8.1 | 8.0 | 2 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.21 | 6.21 | 610.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 8.0 | nM | 8.1 | Binding affinity towards cloned human 5-hydroxytryptamine 1D receptor | 14505640 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 8.0 | nM | 8.1 | Binding affinity was evaluated at the cloned human 5-hydroxytryptamine 1D recept... | 14741277 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 610.0 | nM | 6.21 | Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor | 14505640 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 610.0 | nM | 6.21 | Binding affinity was evaluated at the cloned human 5-hydroxytryptamine 1B recept... | 14741277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14505640 | 10.1016/s0960-894x(03)00779-0 | 5-hydroxytryptamine receptor 1D | 1 |
| 14505640 | 10.1016/s0960-894x(03)00779-0 | 5-hydroxytryptamine receptor 1B | 1 |
| 14741277 | 10.1016/j.bmcl.2003.11.023 | 5-hydroxytryptamine receptor 1D | 1 |
| 14741277 | 10.1016/j.bmcl.2003.11.023 | 5-hydroxytryptamine receptor 1B | 1 |
| 14741277 | 10.1016/j.bmcl.2003.11.023 | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
Data from ChEMBL 36 via Core Engine