Compound Detail
CHEMBL13049
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Basic Information
| ChEMBL ID | CHEMBL13049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZYWRBPKJXHPIN-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
374.6
MW (Da)
3.97
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.5 | 7.198 | 32.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 32.0 | nM | 7.5 | Binding affinity towards human 5-hydroxytryptamine 7 receptor | 12825922 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 63.1 | nM | 7.2 | Binding affinity towards cloned human 5-hydroxytryptamine 7 receptor expressed i... | 9513592 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 63.1 | nM | 7.2 | Binding affinity towards cloned human 5-hydroxytryptamine 7 receptor in HEK 293 ... | 10843226 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 65.0 | nM | 7.19 | Binding affinity towards human 5-hydroxytryptamine 7 receptor | 12825922 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 125.0 | nM | 6.9 | Binding affinity towards human 5-hydroxytryptamine 7 receptor | 12825922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 3 |
| 9513592 | 10.1021/jm970519e | 5-hydroxytryptamine receptor 7 | 1 |
| 10843226 | 10.1016/s0960-894x(00)00166-9 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine