Compound Detail
CHEMBL362665
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Basic Information
| ChEMBL ID | CHEMBL362665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLHPOAMYVQMRPZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
4.50
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.59 | 5.905 | 258.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 2.6 | nM | 8.59 | Binding affinity D3 [3H]-PD 128907 receptor was determined using caudate-putamen... | 15745825 |
| Unchecked | Ki | = | 258.0 | nM | 6.59 | Binding affinity for D2-like [3H]spiperone receptor was determined using caudate... | 15745825 |
| Unchecked | Ki | = | 6051.0 | nM | 5.22 | Binding affinity for D1-like [3H]-SCH- 23390 receptor was determined using cauda... | 15745825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15745825 | 10.1016/j.bmcl.2005.01.037 | Unchecked | 4 |
| 15745825 | 10.1016/j.bmcl.2005.01.037 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine