Compound Detail
CHEMBL541077
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Basic Information
| ChEMBL ID | CHEMBL541077 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCQYMLNLHMTUBD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL58613 |
| Active Moiety | CHEMBL58613 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.36
ALogP
4
HBA
0
HBD
36.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.0 | nM | 9.0 | 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