Compound Detail
CHEMBL521235
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Basic Information
| ChEMBL ID | CHEMBL521235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKBJZDHVHHKARV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
2.56
ALogP
2
HBA
2
HBD
45.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.4 | 7.4 | 39.6 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.45 | 6.45 | 353.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 39.6 | nM | 7.4 | Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor express... | 18507369 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 353.0 | nM | 6.45 | Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor express... | 18507369 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18507369 | 10.1021/jm7011722 | Unchecked | 1 |
| 18507369 | 10.1021/jm7011722 | 5-hydroxytryptamine receptor 1B | 1 |
| 18507369 | 10.1021/jm7011722 | 5-hydroxytryptamine receptor 1D | 1 |
Data from ChEMBL 36 via Core Engine