Compound Detail
CHEMBL19331
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Basic Information
| ChEMBL ID | CHEMBL19331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPCXQPXCYDDJSR-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
135.2
MW (Da)
1.36
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.99
Ki 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.03 | 5.03 | 9400.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | IC50 | 4.41 | 4.41 | 39200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 500.0 | nM | 6.3 | Potency was measured by the displacement of [3H]-spiperone binding to human D4 d... | - |
| D(2) dopamine receptor | IC50 | = | 1030.0 | nM | 5.99 | Inhibitory concentration against binding of [3H]spiperone to human D2 dopaminerg... | - |
| D(2) dopamine receptor | Ki | = | 9400.0 | nM | 5.03 | Potency was measured by the displacement of [3H]spiperone binding to human D2 do... | - |
| D(4) dopamine receptor | IC50 | = | 39200.0 | nM | 4.41 | Inhibitory concentration against binding of [3H]spiperone to human D4 dopaminerg... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00194-7 | D(2) dopamine receptor | 2 |
| - | 10.1016/S0960-894X(97)00194-7 | D(4) dopamine receptor | 2 |
| - | 10.1016/S0960-894X(97)00194-7 | Dopamine receptors; D2 & D4 | 1 |
Data from ChEMBL 36 via Core Engine