Compound Detail
CHEMBL117157
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Basic Information
| ChEMBL ID | CHEMBL117157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVYZYMFXNRJPCO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
1.45
ALogP
6
HBA
3
HBD
120.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 9.0 | 8.83 | 1.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | 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 | = | 1.0 | nM | 9.0 | Binding affinity to recombinant human 5-hydroxytryptamine 1D receptor alpha | 7658447 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 2.2 | nM | 8.66 | Binding affinity for cloned human 5-hydroxytryptamine 1D receptor beta | 7658447 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 95.0 | nM | 7.02 | Binding affinity for cloned human 5-hydroxytryptamine 1A receptor | 7658447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7658447 | 10.1021/jm00018a020 | 5-hydroxytryptamine receptor 1D | 2 |
| 7658447 | 10.1021/jm00018a020 | Oryctolagus cuniculus | 2 |
| 7658447 | 10.1021/jm00018a020 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine