Compound Detail
CHEMBL2158641
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CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1.O=C(O)/C(O)=C(/O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2158641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKHSONPLTVUZIL-HFNHQGOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
435.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.51 | 9.51 | 0.3 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 9.03 | 9.03 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.31 | nM | 9.51 | Displacement of [3H]-SCH-23390 from dopamine D1 like receptor in pig striatal ho... | 23018094 |
| D(1A) dopamine receptor | Ki | = | 0.94 | nM | 9.03 | Displacement of [3H]-SCH-23390 from human dopamine D1 receptor expressed in HEK2... | 23018094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23018094 | 10.1016/j.bmc.2012.08.058 | Unchecked | 2 |
| 23018094 | 10.1016/j.bmc.2012.08.058 | D(3) dopamine receptor | 1 |
| 23018094 | 10.1016/j.bmc.2012.08.058 | D(2) dopamine receptor | 1 |
| 23018094 | 10.1016/j.bmc.2012.08.058 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine