Compound Detail
CHEMBL274099
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Basic Information
| ChEMBL ID | CHEMBL274099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGQCVMYAEFTEFN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
3.10
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 7.22 | 6.795 | 59.7 | 2 |
| Unchecked CHEMBL612545 | Ki | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 59.7 | nM | 7.22 | Binding affinity measured on Sigma receptor type 1 from guinea pig brain membran... | 7636860 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 429.0 | nM | 6.37 | Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate... | 1848295 |
| Unchecked | Ki | = | 430.0 | nM | 6.37 | Displacement of [3H]DTG from sigma receptor (unknown origin) | 28244748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2831361 | 10.1021/jm00398a007 | Mu-type opioid receptor | 4 |
| 7636860 | 10.1021/jm00015a022 | Sigma non-opioid intracellular receptor 1 | 3 |
| 2831361 | 10.1021/jm00398a007 | No relevant target | 2 |
| 1848295 | 10.1021/jm00107a033 | Sigma non-opioid intracellular receptor 1 | 1 |
| 28244748 | 10.1021/acs.jmedchem.7b00085 | Unchecked | 1 |
| 37731701 | 10.1039/d3md00291h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine