Compound Detail
CHEMBL184597
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Basic Information
| ChEMBL ID | CHEMBL184597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMRMDLZGICUAAD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.76
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 8.41 | 8.41 | 3.9 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.06 | 6.06 | 870.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 5.64 | 5.64 | 2300.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | Ki | = | 3.9 | nM | 8.41 | In vitro binding affinity for human 5-hydroxytryptamine 1F receptor | 15546719 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 870.0 | nM | 6.06 | In vitro binding affinity for human 5-hydroxytryptamine 1A receptor | 15546719 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 2300.0 | nM | 5.64 | In vitro binding affinity for human 5-hydroxytryptamine 1B receptor | 15546719 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 3100.0 | nM | 5.51 | In vitro binding affinity for human 5-hydroxytryptamine 1D receptor | 15546719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546719 | 10.1016/j.bmcl.2004.09.079 | 5-hydroxytryptamine receptor 1F | 1 |
| 15546719 | 10.1016/j.bmcl.2004.09.079 | 5-hydroxytryptamine receptor 1A | 1 |
| 15546719 | 10.1016/j.bmcl.2004.09.079 | 5-hydroxytryptamine receptor 1B | 1 |
| 15546719 | 10.1016/j.bmcl.2004.09.079 | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine