Compound Detail
CHEMBL544118
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Basic Information
| ChEMBL ID | CHEMBL544118 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAQZKJMFINCNCI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1192815 |
| Active Moiety | CHEMBL1192815 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.2
MW (Da)
4.02
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.68 | 5.68 | 2100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 2100.0 | nM | 5.68 | The compound was evaluated for the dissociation constant for inhibiting the bind... | 1684995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1684995 | 10.1021/jm00116a004 | D(1A) dopamine receptor | 1 |
| 1684995 | 10.1021/jm00116a004 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine