Compound Detail
CHEMBL129022
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Basic Information
| ChEMBL ID | CHEMBL129022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKHLKPHMIBEXST-UHFFFAOYSA-N |
| Parent Compound | CHEMBL127400 |
| Active Moiety | CHEMBL127400 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
3.58
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.83
EC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.83 | 8.83 | 1.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | EC50 | 8.6 | 8.6 | 2.5 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.56 | 7.56 | 27.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1.48 | nM | 8.83 | Binding affinity for human dopamine receptor D3 by displacing [125I]iodosulpirid... | 12930150 |
| D(2) dopamine receptor | EC50 | = | 2.5 | nM | 8.6 | Effective concentration for Dopamine receptor D3 was determined | 12930150 |
| D(2) dopamine receptor | Ki | = | 27.5 | nM | 7.56 | Binding affinity for human dopamine receptor D2 by displacing [125I]iodosulpirid... | 12930150 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930150 | 10.1021/jm030836n | D(2) dopamine receptor | 3 |
| 12930150 | 10.1021/jm030836n | D(3) dopamine receptor | 1 |
| 12930150 | 10.1021/jm030836n | Dopamine receptors; D2 & D3 | 1 |
Data from ChEMBL 36 via Core Engine