Compound Detail
CHEMBL3894798
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Basic Information
| ChEMBL ID | CHEMBL3894798 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDJNUQKPANAGAS-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
4.09
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 8.11 | 8.11 | 7.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 7.7 | nM | 8.11 | Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain co... | 27366902 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27366902 | 10.1016/j.ejmech.2016.06.001 | Unchecked | 2 |
| 27366902 | 10.1016/j.ejmech.2016.06.001 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine