Compound Detail
CHEMBL4068843
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Basic Information
| ChEMBL ID | CHEMBL4068843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXMQIPPBQZMPBZ-NQIIRXRSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
3.25
ALogP
4
HBA
2
HBD
84.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.61 | 8.61 | 2.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.84 | 7.84 | 14.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 2.47 | nM | 8.61 | Displacement of [3H]N-methylspiperone from human D3 receptor expressed in HEK293... | 28186762 |
| D(2) dopamine receptor | Ki | = | 14.4 | nM | 7.84 | Displacement of [3H]N-methylspiperone from human D2L receptor expressed in HEK29... | 28186762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28186762 | 10.1021/acs.jmedchem.6b01688 | D(2) dopamine receptor | 4 |
| 28186762 | 10.1021/acs.jmedchem.6b01688 | D(3) dopamine receptor | 4 |
| 28186762 | 10.1021/acs.jmedchem.6b01688 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine