Compound Detail
CHEMBL49048
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Basic Information
| ChEMBL ID | CHEMBL49048 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWLIYMBPGFVKOO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
242.4
MW (Da)
3.37
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.35 | 7.35 | 45.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.79 | 5.79 | 1625.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 45.0 | nM | 7.35 | Binding affinity for human 5-hydroxytryptamine 1D receptor | 10937729 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 1625.0 | nM | 5.79 | Binding affinity towards cloned human 5-hydroxytryptamine 1B receptor | 10937729 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10937729 | 10.1016/s0960-894x(00)00322-x | 5-hydroxytryptamine receptor 1D | 1 |
| 10937729 | 10.1016/s0960-894x(00)00322-x | 5-hydroxytryptamine receptor 1B | 1 |
| 10937729 | 10.1016/s0960-894x(00)00322-x | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
| 10937729 | 10.1016/s0960-894x(00)00322-x | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine