Compound Detail
CHEMBL158638
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Basic Information
| ChEMBL ID | CHEMBL158638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHLKSQOCYRUNEX-XYPYZODXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
2.07
ALogP
2
HBA
2
HBD
62.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | IC50 | 7.35 | 7.35 | 44.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | IC50 | = | 14.79 | nM | 7.83 | Binding affinity in CHO-K1 cells transfected with human 5-hydroxytryptamine 1D r... | 11262079 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 44.67 | nM | 7.35 | Binding affinity in CHO-K1 cells transfected with human recombinant 5-hydroxytry... | 11262079 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262079 | 10.1021/jm000956k | 5-hydroxytryptamine receptor 1B | 1 |
| 11262079 | 10.1021/jm000956k | 5-hydroxytryptamine receptor 1D | 1 |
| 11262079 | 10.1021/jm000956k | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine