Compound Detail
CHEMBL558780
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Basic Information
| ChEMBL ID | CHEMBL558780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXGALIUALQUHCE-DAXZZMJZSA-N |
| Parent Compound | CHEMBL1196949 |
| Active Moiety | CHEMBL1196949 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.9
MW (Da)
4.57
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dopamine receptor CHEMBL2093868 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dopamine receptor | IC50 | = | 50.0 | nM | 7.3 | Concentration inhibiting the specific binding of [3H]spiroperidol by 50% | 6198519 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6198519 | 10.1021/jm00368a011 | Rattus norvegicus | 2 |
| 6198519 | 10.1021/jm00368a011 | ADMET | 1 |
| 6198519 | 10.1021/jm00368a011 | Dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine