Compound Detail
CHEMBL542942
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Basic Information
| ChEMBL ID | CHEMBL542942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHRWZSCNJHHXMW-UHFFFAOYSA-N |
| Parent Compound | CHEMBL146144 |
| Active Moiety | CHEMBL146144 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
321.5
MW (Da)
3.99
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2095200 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.36 | 8.36 | 4.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 4.2 | nM | 8.38 | Binding affinity for serotonin 5-hydroxytryptamine 2 receptor using [3H]ketanser... | 7905926 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 4.4 | nM | 8.36 | Binding affinity for sigma receptor of guinea pig whole brain using [3H]-SKF- 10... | 7905926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7905926 | 10.1021/jm00029a008 | Mus musculus | 2 |
| 7905926 | 10.1021/jm00029a008 | Sigma non-opioid intracellular receptor 1 | 1 |
| 7905926 | 10.1021/jm00029a008 | D(2) dopamine receptor | 1 |
| 7905926 | 10.1021/jm00029a008 | Serotonin 2 (5-HT2) receptor | 1 |
| 7905926 | 10.1021/jm00029a008 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine