Compound Detail
CHEMBL350166
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Basic Information
| ChEMBL ID | CHEMBL350166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQVFEOWWKRLYCL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.4
MW (Da)
2.86
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.57 | 7.57 | 27.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 27.0 | nM | 7.57 | Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacemen... | 14741267 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 90.0 | nM | 7.05 | Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displaceme... | 14741267 |
| D(2) dopamine receptor | Ki | = | 130.0 | nM | 6.89 | Binding affinity towards human dopamine receptor D2 by the displacement of [3H]s... | 14741267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741267 | 10.1016/j.bmcl.2003.11.050 | 5-hydroxytryptamine receptor 7 | 1 |
| 14741267 | 10.1016/j.bmcl.2003.11.050 | 5-hydroxytryptamine receptor 1A | 1 |
| 14741267 | 10.1016/j.bmcl.2003.11.050 | 5-hydroxytryptamine receptor 2A | 1 |
| 14741267 | 10.1016/j.bmcl.2003.11.050 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine