Compound Detail
CHEMBL69943
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Basic Information
| ChEMBL ID | CHEMBL69943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMWZSACWHHMURD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
4.69
ALogP
3
HBA
1
HBD
56.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 6.65 | 6.65 | 224.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.9 | nM | 8.72 | In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1A recept... | 7783153 |
| D(2) dopamine receptor | Ki | = | 15.0 | nM | 7.82 | Binding affinity rat Dopamine receptor D2 expressed in CHO-K1 cells by [3H]U-861... | 7783153 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 26.0 | nM | 7.58 | In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1D recept... | 7783153 |
| D(3) dopamine receptor | Ki | = | 29.0 | nM | 7.54 | In vitro binding affinity against cloned mammalian Dopamine receptor D3 expresse... | 7783153 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 224.0 | nM | 6.65 | In vitro binding affinity against cloned mammalian 5-hydroxytryptamine 1D recept... | 7783153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7783153 | 10.1021/jm00012a022 | 5-hydroxytryptamine receptor 1A | 1 |
| 7783153 | 10.1021/jm00012a022 | D(2) dopamine receptor | 1 |
| 7783153 | 10.1021/jm00012a022 | D(3) dopamine receptor | 1 |
| 7783153 | 10.1021/jm00012a022 | 5-hydroxytryptamine receptor 1D | 1 |
| 7783153 | 10.1021/jm00012a022 | 5-hydroxytryptamine receptor 1B | 1 |
Data from ChEMBL 36 via Core Engine