Compound Detail
CHEMBL4778900
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Basic Information
| ChEMBL ID | CHEMBL4778900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXCYYNZUWOYKGO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
259.3
MW (Da)
2.27
ALogP
4
HBA
0
HBD
42.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL287 | Ki | 5.54 | 5.54 | 2870.0 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105864 | Ki | 4.9 | 4.9 | 12500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2870.0 | nM | 5.54 | Displacement of [3H]pentazocine from human sigma 1 receptor expressed in HEK293 ... | 34223165 |
| Sigma intracellular receptor 2 | Ki | = | 12500.0 | nM | 4.9 | Displacement of (+)-[3H]DTG from sigma 2 receptor in SPRD rat liver membrane inc... | 34223165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34223165 | 10.1039/d1md00105a | Sigma non-opioid intracellular receptor 1 | 1 |
| 34223165 | 10.1039/d1md00105a | Sigma intracellular receptor 2 | 1 |
| 34223165 | 10.1039/d1md00105a | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine