Compound Detail
CHEMBL1180455
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Basic Information
| ChEMBL ID | CHEMBL1180455 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQXFYZWQVQXWMO-JLHYYAGUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
428.0
MW (Da)
4.08
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.36 | 9.36 | 0.4 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.65 | 7.65 | 22.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.44 | nM | 9.36 | Displacement of [3H]spiperone from human dopamine D3 receptor expressed in CHO c... | 21030255 |
| D(2) dopamine receptor | Ki | = | 22.6 | nM | 7.65 | Displacement of [3H]spiperone from human dopamine D2long receptor expressed in C... | 21030255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21030255 | 10.1016/j.bmcl.2010.09.142 | D(2) dopamine receptor | 1 |
| 21030255 | 10.1016/j.bmcl.2010.09.142 | D(3) dopamine receptor | 1 |
| 21030255 | 10.1016/j.bmcl.2010.09.142 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine