Compound Detail
CHEMBL1765630
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Basic Information
| ChEMBL ID | CHEMBL1765630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJUWRNXEJLCKJK-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
465.0
MW (Da)
5.44
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.23 | 9.23 | 0.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.37 | 7.185 | 43.0 | 2 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.72 | 6.72 | 190.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.58 | 6.58 | 260.0 | 1 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.59 | nM | 9.23 | Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO c... | 21388142 |
| D(2) dopamine receptor | Ki | = | 43.0 | nM | 7.37 | Displacement of [3H]spiperone from human dopamine D2short receptor expressed in ... | 21388142 |
| D(2) dopamine receptor | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]spiperone from human dopamine D2long receptor expressed in C... | 21388142 |
| D(4) dopamine receptor | Ki | = | 190.0 | nM | 6.72 | Displacement of [3H]spiperone from human dopamine D4.4 receptor expressed in CHO... | 21388142 |
| Unchecked | Ki | = | 260.0 | nM | 6.58 | Displacement of [3H]prazosin from adrenergic alpha1 receptor in porcine cerebral... | 21388142 |
| D(1A) dopamine receptor | Ki | = | 3600.0 | nM | 5.44 | Displacement of [3H]SCH23390 from dopamine D1 receptor in porcine cerebral corte... | 21388142 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21388142 | 10.1021/jm101639t | D(2) dopamine receptor | 2 |
| 21388142 | 10.1021/jm101639t | D(1A) dopamine receptor | 1 |
| 21388142 | 10.1021/jm101639t | D(3) dopamine receptor | 1 |
| 21388142 | 10.1021/jm101639t | D(4) dopamine receptor | 1 |
| 21388142 | 10.1021/jm101639t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine