Compound Detail
CHEMBL3352842
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Basic Information
| ChEMBL ID | CHEMBL3352842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WQTFYAJPVRNRPK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.6
MW (Da)
5.71
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 4.51 | 4.51 | 30900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 30900.0 | nM | 4.51 | 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