Compound Detail
CHEMBL445651
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Basic Information
| ChEMBL ID | CHEMBL445651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLXNRVGVWKPHCW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
4.03
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F CHEMBL1805 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1F | Ki | = | 17.0 | nM | 7.77 | In vitro binding affinity for human 5-hydroxytryptamine 1F receptor | 15546719 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 160.0 | nM | 6.8 | In vitro binding affinity for human 5-hydroxytryptamine 1A receptor | 15546719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15546719 | 10.1016/j.bmcl.2004.09.079 | 5-hydroxytryptamine receptor 1F | 3 |
| 15546719 | 10.1016/j.bmcl.2004.09.079 | Unchecked | 3 |
| 15546719 | 10.1016/j.bmcl.2004.09.079 | 5-hydroxytryptamine receptor 1B | 2 |
| 15546719 | 10.1016/j.bmcl.2004.09.079 | 5-hydroxytryptamine receptor 1D | 2 |
| 15546719 | 10.1016/j.bmcl.2004.09.079 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine