Compound Detail
CHEMBL417650
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Basic Information
| ChEMBL ID | CHEMBL417650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGWDYAXPDYLSAI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
4.76
ALogP
2
HBA
3
HBD
70.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 8.9 | 8.9 | 1.3 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 1.27 | nM | 8.9 | Inhibitory activity against 5-hydroxytryptamine 1A receptor subtype | - |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 1.98 | nM | 8.7 | Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(94)00470-Z | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(94)00470-Z | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine