Compound Detail
CHEMBL3289654
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Basic Information
| ChEMBL ID | CHEMBL3289654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXBXHKYLHOPBKN-WOJBJXKFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
4.98
ALogP
3
HBA
0
HBD
19.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.17 | 6.17 | 670.7 | 1 |
| D(4) dopamine receptor CHEMBL3361 | Ki | 5.62 | 5.62 | 2397.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 670.7 | nM | 6.17 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP as... | 24800940 |
| D(4) dopamine receptor | Ki | = | 2397.0 | nM | 5.62 | Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by PDSP assa... | 24800940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24800940 | 10.1016/j.bmc.2014.04.026 | Unchecked | 2 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(1A) dopamine receptor | 1 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(2) dopamine receptor | 1 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(3) dopamine receptor | 1 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(4) dopamine receptor | 1 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine