Compound Detail
CHEMBL185988
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Basic Information
| ChEMBL ID | CHEMBL185988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXKCFTNCUWYHCN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
3.81
ALogP
5
HBA
0
HBD
53.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 6.43 | 6.43 | 367.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.39 | 6.39 | 405.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 367.0 | nM | 6.43 | In vitro ability to displace the radioligand [3H]5-CT from binding to rat 5-hydr... | 15501057 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 405.0 | nM | 6.39 | In vitro ability to displace the radioligand [3H]-OH-DPAT from binding to rat 5-... | 15501057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15501057 | 10.1016/j.bmcl.2004.09.029 | 5-hydroxytryptamine receptor 7 | 1 |
| 15501057 | 10.1016/j.bmcl.2004.09.029 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine