Compound Detail
CHEMBL161894
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Basic Information
| ChEMBL ID | CHEMBL161894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NYUGENFOMDVBBK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.7
MW (Da)
5.93
ALogP
3
HBA
2
HBD
34.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.8 | 7.8 | 16.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 7.02 | 7.02 | 95.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 16.0 | nM | 7.8 | Binding affinity was evaluated at the cloned human 5-hydroxytryptamine 1D recept... | 14741277 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 95.0 | nM | 7.02 | Binding affinity was evaluated at the cloned human 5-hydroxytryptamine 1B recept... | 14741277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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