Compound Detail
CHEMBL28321
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Basic Information
| ChEMBL ID | CHEMBL28321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPXJKNQVKALXKP-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
347.5
MW (Da)
3.81
ALogP
4
HBA
0
HBD
20.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 9.15 | 8.9767 | 0.7 | 3 |
| D(2) dopamine receptor CHEMBL5456 | Ki | 9.15 | 9.15 | 0.7 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| D(3) dopamine receptor CHEMBL2304406 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.7 | nM | 9.15 | Displacement of [3H]-YM 09151 from african green monkey Dopamine receptor D2 | 8523409 |
| D(4) dopamine receptor | Ki | = | 0.7 | nM | 9.15 | In vitro binding affinity was measured at the cloned human Dopamine receptor D4.... | 9822559 |
| D(4) dopamine receptor | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]-YM 09151 from human Dopamine receptor D4 | 8523409 |
| D(4) dopamine receptor | Ki | = | 1.3 | nM | 8.89 | Displacement of [3H]YM-09151-2 from human Dopamine receptor D4.2 expressed in ba... | - |
| D(2) dopamine receptor | Ki | = | 1.3 | nM | 8.89 | In vitro binding affinity was measured at the cloned human Dopamine receptor D2 ... | 9822559 |
| D(3) dopamine receptor | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]-YM 09151 from african monkey Dopamine receptor D3 | 8523409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8523409 | 10.1021/jm00025a013 | D(2) dopamine receptor | 1 |
| 8523409 | 10.1021/jm00025a013 | D(3) dopamine receptor | 1 |
| 8523409 | 10.1021/jm00025a013 | D(4) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00218-7 | D(4) dopamine receptor | 1 |
| 9822559 | 10.1021/jm981041x | D(4) dopamine receptor | 1 |
| 9822559 | 10.1021/jm981041x | D(2) dopamine receptor | 1 |
| 9822559 | 10.1021/jm981041x | Dopamine receptors; D2 & D4 | 1 |
Data from ChEMBL 36 via Core Engine