Compound Detail
CHEMBL556617
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Cl.N=C(Nc1ccccc1/C=C/c1c(F)c(F)c(F)c(F)c1F)NC12CC3CC(CC(C3)C1)C2
Basic Information
| ChEMBL ID | CHEMBL556617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWQFSAQWCQNWKJ-IPZCTEOASA-N |
| Parent Compound | CHEMBL1196354 |
| Active Moiety | CHEMBL1196354 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
6.46
ALogP
1
HBA
3
HBD
47.9
PSA (Ų)
0.12
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | IC50 | 6.61 | 6.61 | 245.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | IC50 | = | 245.0 | nM | 6.61 | In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in... | 1975275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1975275 | 10.1021/jm00171a016 | Sigma non-opioid intracellular receptor 1 | 1 |
| 1975275 | 10.1021/jm00171a016 | Glutamate [NMDA] receptor | 1 |
Data from ChEMBL 36 via Core Engine