Compound Detail
CHEMBL1449159
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Basic Information
| ChEMBL ID | CHEMBL1449159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUJWFJNHTBKCLU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL305881 |
| Active Moiety | CHEMBL305881 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
2.76
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.23 | 7.0767 | 58.7 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 58.7 | nM | 7.23 | Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes afte... | 27721146 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 66.6 | nM | 7.18 | Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes afte... | 27721146 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 150.8 | nM | 6.82 | Displacement of [3H]-PTZ from sigma1 receptor in guinea pig brain membranes afte... | 27721146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21967807 | 10.1016/j.bmc.2011.09.016 | Sigma non-opioid intracellular receptor 1 | 8 |
| 27721146 | 10.1016/j.ejmech.2016.09.077 | Sigma non-opioid intracellular receptor 1 | 3 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37535861 | 10.1021/acs.jmedchem.3c00959 | Unchecked | 2 |
| 27721146 | 10.1016/j.ejmech.2016.09.077 | Kappa-type opioid receptor | 1 |
| 27721146 | 10.1016/j.ejmech.2016.09.077 | Delta-type opioid receptor | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine