Compound Detail
CHEMBL3354877
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Basic Information
| ChEMBL ID | CHEMBL3354877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDNVSYFRDWTFQH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
5.44
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.53
EC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 5.53 | 5.53 | 2934.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.19 | 5.19 | 6517.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.58 | 4.58 | 26000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 2934.0 | nM | 5.53 | Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by sc... | 25462269 |
| Unchecked | Ki | = | 6517.0 | nM | 5.19 | Displacement of [3H]DTG from rat liver sigma2 receptor by scintillation counting... | 25462269 |
| Unchecked | EC50 | = | 26000.0 | nM | 4.58 | Inhibition of P-glycoprotein (unknown origin) expressed in MDCK cells assessed a... | 25462269 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25462269 | 10.1016/j.ejmech.2014.10.082 | Unchecked | 2 |
| 25462269 | 10.1016/j.ejmech.2014.10.082 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine