Compound Detail
CHEMBL57672
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Basic Information
| ChEMBL ID | CHEMBL57672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQVZVMZWAHAQGC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
243.3
MW (Da)
1.87
ALogP
4
HBA
4
HBD
86.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.37 | 7.37 | 43.0 | 1 |
| D(2) dopamine receptor CHEMBL3998 | Ki | 5.24 | 5.24 | 5740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 43.0 | nM | 7.37 | Displacement of [3H]fenoldopam from Dopamine receptor D1 of rat striatum membran... | 3761310 |
| D(2) dopamine receptor | Ki | = | 5740.0 | nM | 5.24 | Compound was tested for inhibition of [3H]spiroperidol binding against Dopamine ... | 3761310 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3761310 | 10.1021/jm00160a018 | D(1A) dopamine receptor | 1 |
| 3761310 | 10.1021/jm00160a018 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine