Compound Detail
CHEMBL210318
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Basic Information
| ChEMBL ID | CHEMBL210318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKQSDHHTBMYENT-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.19
ALogP
4
HBA
0
HBD
24.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.62 | 5.57 | 2400.0 | 2 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 5.12 | 5.12 | 7600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 20.0 | nM | 7.7 | Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed i... | 16563764 |
| D(3) dopamine receptor | Ki | = | 2100.0 | nM | 5.68 | Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed i... | 16563764 |
| D(2) dopamine receptor | Ki | = | 2400.0 | nM | 5.62 | Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expr... | 16563764 |
| D(2) dopamine receptor | Ki | = | 3000.0 | nM | 5.52 | Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expre... | 16563764 |
| D(1A) dopamine receptor | Ki | = | 7600.0 | nM | 5.12 | Displacement of [3H]SCH-23390 from dopamine D1 receptor in porcine striatal memb... | 16563764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16563764 | 10.1016/j.bmcl.2006.02.075 | D(2) dopamine receptor | 2 |
| 16563764 | 10.1016/j.bmcl.2006.02.075 | D(3) dopamine receptor | 1 |
| 16563764 | 10.1016/j.bmcl.2006.02.075 | D(4) dopamine receptor | 1 |
| 16563764 | 10.1016/j.bmcl.2006.02.075 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine