Compound Detail
CHEMBL161031
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Basic Information
| ChEMBL ID | CHEMBL161031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYWLHXJDBZUHFN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
1.80
ALogP
4
HBA
0
HBD
16.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 6800.0 | nM | 5.17 | Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacemen... | 14741267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741267 | 10.1016/j.bmcl.2003.11.050 | 5-hydroxytryptamine receptor 7 | 1 |
Data from ChEMBL 36 via Core Engine