Compound Detail
CHEMBL543141
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Basic Information
| ChEMBL ID | CHEMBL543141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQACILXYRYDWRT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191968 |
| Active Moiety | CHEMBL1191968 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.63
ALogP
4
HBA
0
HBD
28.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.34 | 9.34 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.46 | nM | 9.34 | Binding affinity to displace [3H]2-(di-N-propylamino)-8-hydroxy-tetralin from 5-... | 8064803 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064803 | 10.1021/jm00043a015 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine