Compound Detail
CHEMBL1822920
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Basic Information
| ChEMBL ID | CHEMBL1822920 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVHPCYDYQFJLCA-OZIFAFRSSA-N |
| Parent Compound | CHEMBL1852349 |
| Active Moiety | CHEMBL1852349 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
2.85
ALogP
4
HBA
3
HBD
52.5
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 7.04
EC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.04 | 5.795 | 92.0 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | EC50 | 6.23 | 6.23 | 584.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 92.0 | nM | 7.04 | Displacement of [3H]SCH23390 from dopamine D1-like receptor in pig striatal tiss... | 21862338 |
| D(1A) dopamine receptor | EC50 | = | 584.0 | nM | 6.23 | Agonist activity at human dopamine D1 receptor expressed in HEK293 cells assesse... | 21862338 |
| Unchecked | Ki | = | 27980.0 | nM | 4.55 | 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 | 3 |
| 21862338 | 10.1016/j.bmc.2011.07.057 | D(1A) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine