Compound Detail
CHEMBL545058
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Basic Information
| ChEMBL ID | CHEMBL545058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWHRJHRFGKBIQM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1193619 |
| Active Moiety | CHEMBL1193619 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.9
MW (Da)
5.04
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.75
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor CHEMBL2095200 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 8.05 | 8.05 | 9.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.9 | 6.9 | 125.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 2 (5-HT2) receptor | Ki | = | 7.0 | nM | 8.15 | Binding affinity for serotonin 5-hydroxytryptamine 2 receptor using [3H]ketanser... | 7905926 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 9.0 | nM | 8.05 | Binding affinity for sigma receptor of guinea pig whole brain using [3H]-SKF- 10... | 7905926 |
| D(2) dopamine receptor | Ki | = | 125.0 | nM | 6.9 | Binding affinity for dopamine D2 receptor using [3H]spiperone in guinea pig stri... | 7905926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine