Compound Detail
CHEMBL144600
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Basic Information
| ChEMBL ID | CHEMBL144600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGKGOXNQDZREPO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
4.46
ALogP
4
HBA
2
HBD
88.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.4 | 6.4 | 398.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 39.81 | nM | 7.4 | Ability to displace [125I]-sulpiride from human Dopamine receptor D3, expressed ... | - |
| D(2) dopamine receptor | Ki | = | 398.11 | nM | 6.4 | Ability to displace [125I]sulpiride from human Dopamine receptor D2, expressed i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00045-0 | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00045-0 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00045-0 | Dopamine receptors; D2 & D3 | 1 |
Data from ChEMBL 36 via Core Engine