Compound Detail
CHEMBL514591
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Basic Information
| ChEMBL ID | CHEMBL514591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBMQPMVISGXIDJ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
372.9
MW (Da)
4.61
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.48 | 9.48 | 0.3 | 1 |
| 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 | 6.29 | 6.29 | 513.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.33 | nM | 9.48 | Ratio of Ki for human dopamine D2 receptor to Ki for human dopamine D4 receptor | 19155177 |
| D(2) dopamine receptor | Ki | = | 170.0 | nM | 6.77 | Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid ... | 19155177 |
| D(3) dopamine receptor | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid ... | 19155177 |
| D(4) dopamine receptor | Ki | = | 513.0 | nM | 6.29 | Displacement of [125I]DOI from human dopamine D4 receptor by liquid scintillatio... | 19155177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19155177 | 10.1016/j.bmc.2008.12.054 | D(2) dopamine receptor | 1 |
| 19155177 | 10.1016/j.bmc.2008.12.054 | D(3) dopamine receptor | 1 |
| 19155177 | 10.1016/j.bmc.2008.12.054 | D(4) dopamine receptor | 1 |
| 19155177 | 10.1016/j.bmc.2008.12.054 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine