Compound Detail
CHEMBL3354875
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Basic Information
| ChEMBL ID | CHEMBL3354875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IYVASUUKCLZLER-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.94
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.58
EC50 1 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 6.58 | 6.58 | 260.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.49 | 5.49 | 3210.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.27 | 5.27 | 5420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 260.0 | nM | 6.58 | Displacement of [3H]-(+)-pentazocine from guinea pig brain sigma1 receptor by sc... | 25462269 |
| Unchecked | Ki | = | 3210.0 | nM | 5.49 | Displacement of [3H]DTG from rat liver sigma2 receptor by scintillation counting... | 25462269 |
| Unchecked | EC50 | = | 5420.0 | nM | 5.27 | 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