Compound Detail
CHEMBL542510
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL542510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOUBEDQIDSPDQA-MELYUZJYSA-N |
| Parent Compound | CHEMBL1191415 |
| Active Moiety | CHEMBL1191415 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.62
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.41 | 6.41 | 394.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 394.0 | nM | 6.41 | Binding affinity at 5-hydroxytryptamine 1A receptor by the displacement of [3H]8... | 1995871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995871 | 10.1021/jm00106a004 | 5-hydroxytryptamine receptor 1A | 1 |
| 1995871 | 10.1021/jm00106a004 | Serotonin (5-HT) receptor | 1 |
Data from ChEMBL 36 via Core Engine