Compound Detail
CHEMBL4760729
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Basic Information
| ChEMBL ID | CHEMBL4760729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AAVYDTNVJWGBFP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
546.3
MW (Da)
7.09
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL3602 | Ki | 8.53 | 8.53 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2.95 | nM | 8.53 | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in rat liver membrane... | 33111525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33111525 | 10.1021/acs.jmedchem.0c01192 | Sigma non-opioid intracellular receptor 1 | 1 |
| 33111525 | 10.1021/acs.jmedchem.0c01192 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine