Compound Detail
CHEMBL440848
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Basic Information
| ChEMBL ID | CHEMBL440848 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYUWHJMADOFUBT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
4.03
ALogP
4
HBA
1
HBD
58.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL4105 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 12.59 | nM | 7.9 | Displacement of radioligand [3H]5-HT binding to 5-hydroxytryptamine 1D receptor ... | 8496922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8496922 | 10.1021/jm00063a003 | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine