Compound Detail
CHEMBL5427065
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CCc1cc(Cl)c(OC)c(N2CCN(CC[C@H]3CC[C@H](NC(=O)C4=CC5C=CC=CC5N4)CC3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL5427065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOJUDLZOPHLXIK-WDDOOKFPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
525.1
MW (Da)
4.70
ALogP
5
HBA
2
HBD
56.8
PSA (Ų)
0.52
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.99 | 8.99 | 1.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1.03 | nM | 8.99 | Displacement of [3H]N-methylspiperone from human D3 receptor in HEK293 cell memb... | 36661568 |
| D(2) dopamine receptor | Ki | = | 114.0 | nM | 6.94 | Displacement of [3H]N-methylspiperone from human D2 receptor in HEK293 cell memb... | 36661568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36661568 | 10.1021/acs.jmedchem.2c01624 | D(2) dopamine receptor | 1 |
| 36661568 | 10.1021/acs.jmedchem.2c01624 | D(3) dopamine receptor | 1 |
| 36661568 | 10.1021/acs.jmedchem.2c01624 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine