Compound Detail
CHEMBL2158637
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Basic Information
| ChEMBL ID | CHEMBL2158637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAXQEKFHSVSAMQ-WGUYJYMSSA-N |
| Parent Compound | CHEMBL2221041 |
| Active Moiety | CHEMBL2221041 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.98
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.54 | 6.89 | 29.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 29.0 | nM | 7.54 | Displacement of [3H]-N-methylspiperone from dopamine D2 like receptor in pig str... | 23018094 |
| Unchecked | Ki | = | 580.0 | nM | 6.24 | Displacement of [3H]-SCH-23390 from dopamine D1 like receptor in pig striatal ho... | 23018094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23018094 | 10.1016/j.bmc.2012.08.058 | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine