Compound Detail
CHEMBL71635
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Basic Information
| ChEMBL ID | CHEMBL71635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCFFXDBBLHVFSW-QFIPXVFZSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
2.62
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.61 | 6.61 | 248.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.49 | 6.49 | 325.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.01 | 6.01 | 967.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL2304408 | Ki | 5.52 | 5.52 | 3023.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 3.8 | nM | 8.42 | The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1D ... | 9632349 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 248.0 | nM | 6.61 | The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 2A ... | 9632349 |
| D(2) dopamine receptor | Ki | = | 325.0 | nM | 6.49 | The compound was tested for CNS binding affinity towards Dopamine receptor D2 fr... | 9632349 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 967.0 | nM | 6.01 | The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1A ... | 9632349 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 3023.0 | nM | 5.52 | The compound was tested for CNS binding affinity towards 5-hydroxytryptamine 1B ... | 9632349 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9632349 | 10.1021/jm980137o | Cavia porcellus | 2 |
| 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