Compound Detail
CHEMBL1822919
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Basic Information
| ChEMBL ID | CHEMBL1822919 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJQQOYDHXMWIQZ-OZIFAFRSSA-N |
| Parent Compound | CHEMBL1852625 |
| Active Moiety | CHEMBL1852625 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.14
ALogP
4
HBA
3
HBD
61.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.73
EC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.73 | 5.54 | 186.0 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 6.24 | 6.24 | 570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 186.0 | nM | 6.73 | Displacement of [3H]SCH23390 from dopamine D1-like receptor in pig striatal tiss... | 21862338 |
| D(1A) dopamine receptor | EC50 | = | 570.0 | nM | 6.24 | Agonist activity at human dopamine D1 receptor expressed in HEK293 cells assesse... | 21862338 |
| Unchecked | Ki | = | 44840.0 | nM | 4.35 | Displacement of [3H]-N-methylspiperone from dopamine D2-like receptor in pig str... | 21862338 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21862338 | 10.1016/j.bmc.2011.07.057 | Unchecked | 2 |
| 21862338 | 10.1016/j.bmc.2011.07.057 | D(1A) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine