Compound Detail
CHEMBL552830
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 | CHEMBL552830 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHPZLDOPZPEAML-UHFFFAOYSA-N |
| Parent Compound | CHEMBL305029 |
| Active Moiety | CHEMBL305029 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
4.37
ALogP
5
HBA
0
HBD
36.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.51 | 8.51 | 3.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 3.1 | nM | 8.51 | Binding affinity was determined against 5-hydroxytryptamine 1A receptor using [3... | 7473547 |
| D(2) dopamine receptor | Ki | = | 68.0 | nM | 7.17 | Binding affinity was determined against Dopamine receptor D2 using [3H]spiperone | 7473547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473547 | 10.1021/jm00021a009 | Rattus norvegicus | 2 |
| 7473547 | 10.1021/jm00021a009 | D(2) dopamine receptor | 1 |
| 7473547 | 10.1021/jm00021a009 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine