Compound Detail
CHEMBL476934
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Basic Information
| ChEMBL ID | CHEMBL476934 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILSADQLMJBGMFK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
4.41
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.66 | 6.66 | 220.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 170.0 | nM | 6.77 | Binding affinity to human cloned dopamine D2 receptor | 18595716 |
| D(3) dopamine receptor | Ki | = | 220.0 | nM | 6.66 | Binding affinity to human cloned dopamine D3 receptor | 18595716 |
| D(4) dopamine receptor | Ki | = | 520.0 | nM | 6.28 | Binding affinity to human cloned dopamine D4 receptor | 18595716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18595716 | 10.1016/j.bmc.2008.06.030 | Histamine H1 receptor | 1 |
| 18595716 | 10.1016/j.bmc.2008.06.030 | D(3) dopamine receptor | 1 |
| 18595716 | 10.1016/j.bmc.2008.06.030 | D(2) dopamine receptor | 1 |
| 18595716 | 10.1016/j.bmc.2008.06.030 | D(4) dopamine receptor | 1 |
| 18595716 | 10.1016/j.bmc.2008.06.030 | 5-hydroxytryptamine receptor 1A | 1 |
| 18595716 | 10.1016/j.bmc.2008.06.030 | 5-hydroxytryptamine receptor 2A | 1 |
| 18595716 | 10.1016/j.bmc.2008.06.030 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine