Compound Detail
CHEMBL162071
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Basic Information
| ChEMBL ID | CHEMBL162071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WIFFKTZAFMHJEV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
3.40
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 100.0 | nM | 7.0 | Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacemen... | 14741267 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1200.0 | nM | 5.92 | Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displaceme... | 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 |
Data from ChEMBL 36 via Core Engine