Compound Detail
CHEMBL71319
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Basic Information
| ChEMBL ID | CHEMBL71319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JYSLVWOAWZHHQD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.11
ALogP
3
HBA
0
HBD
25.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.55 | 7.55 | 28.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 6.38 | 6.38 | 419.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.24 | 6.24 | 572.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.21 | 6.21 | 618.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.99 | 5.99 | 1034.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 28.0 | nM | 7.55 | Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, usin... | 7783152 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 419.0 | nM | 6.38 | Binding affinity against 5-hydroxytryptamine 1D receptor alpha expressed in CHO-... | 7783152 |
| D(3) dopamine receptor | Ki | = | 572.0 | nM | 6.24 | The compound was tested in vitro for binding affinity against cloned mammalian D... | 7783152 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 618.0 | nM | 6.21 | Binding affinity against 5-hydroxytryptamine 1D receptor beta expressed in CHO-K... | 7783152 |
| D(2) dopamine receptor | Ki | = | 1034.0 | nM | 5.99 | Binding affinity against Dopamine receptor D2 expressed in CHO-K1 cells, using [... | 7783152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783152 | 10.1021/jm00012a021 | Rattus norvegicus | 6 |
| 7783152 | 10.1021/jm00012a021 | 5-hydroxytryptamine receptor 1A | 1 |
| 7783152 | 10.1021/jm00012a021 | 5-hydroxytryptamine receptor 1D | 1 |
| 7783152 | 10.1021/jm00012a021 | 5-hydroxytryptamine receptor 1B | 1 |
| 7783152 | 10.1021/jm00012a021 | D(2) dopamine receptor | 1 |
| 7783152 | 10.1021/jm00012a021 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine