Compound Detail
CHEMBL71798
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Basic Information
| ChEMBL ID | CHEMBL71798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDLSEQDYARNKTL-HSZRJFAPSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
2.88
ALogP
5
HBA
1
HBD
54.0
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.8 | 6.8 | 158.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.53 | 6.53 | 298.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.23 | 6.23 | 586.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 158.0 | nM | 6.8 | The compound was tested for CNS binding affinity towards Dopamine receptor D2 fr... | 9632349 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 298.0 | nM | 6.53 | The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1D ... | 9632349 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 586.0 | nM | 6.23 | The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A ... | 9632349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9632349 | 10.1021/jm980137o | 5-hydroxytryptamine receptor 1D | 1 |
| 9632349 | 10.1021/jm980137o | 5-hydroxytryptamine receptor 1B | 1 |
| 9632349 | 10.1021/jm980137o | 5-hydroxytryptamine receptor 1A | 1 |
| 9632349 | 10.1021/jm980137o | 5-hydroxytryptamine receptor 2A | 1 |
| 9632349 | 10.1021/jm980137o | D(2) dopamine receptor | 1 |
| 9632349 | 10.1021/jm980137o | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine