Compound Detail
CHEMBL70985
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Basic Information
| ChEMBL ID | CHEMBL70985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTKHSRGDDNRWQN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
344.5
MW (Da)
4.88
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.15 | 8.15 | 7.1 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.42 | 6.42 | 377.0 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 6.27 | 6.27 | 542.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 7.1 | nM | 8.15 | Binding affinity against 5-hydroxytryptamine 1A receptor from CHO-K1 cells, usin... | 7783152 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 36.0 | nM | 7.44 | Binding affinity against 5-hydroxytryptamine 1D receptor alpha expressed in CHO-... | 7783152 |
| D(2) dopamine receptor | Ki | = | 377.0 | nM | 6.42 | Binding affinity against Dopamine receptor D2 from CHO-K1 cells, using [3H]U-86,... | 7783152 |
| D(3) dopamine receptor | Ki | = | 542.0 | nM | 6.27 | Binding affinity against Dopamine receptor D3 from CHO-K1 cells, using [3H]spipe... | 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