Compound Detail
CHEMBL72088
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Basic Information
| ChEMBL ID | CHEMBL72088 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NECBFUUHCUJAGU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.76
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL2304407 | Ki | 8.5 | 8.5 | 3.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 3.162 | nM | 8.5 | In vitro binding affinity towards 5-hydroxytryptamine 1D receptor in guinea-pig ... | 8057272 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8057272 | 10.1021/jm00041a001 | 5-hydroxytryptamine receptor 1D | 2 |
| 8057272 | 10.1021/jm00041a001 | Canis familiaris | 1 |
| 8057272 | 10.1021/jm00041a001 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine