Compound Detail
CHEMBL404097
SALUTARIDINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL404097 |
| Name | SALUTARIDINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVTRUVGBZQJVTF-YJYMSZOUSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
1.94
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.12
EC50 1 meas. best 4.49
Ki 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 4.49 | 4.49 | 32500.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 4.46 | 4.46 | 34600.0 | 1 |
| Entamoeba histolytica CHEMBL612853 | IC50 | 4.12 | 4.12 | 76400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 32500.0 | nM | 4.49 | Activation of human mu opioid receptor expressed in HEK293a cells co-expressing ... | 17616524 |
| Mu-type opioid receptor | Ki | = | 34600.0 | nM | 4.46 | Displacement of [3H]naloxone from human mu poioid receptor expressed in HEK293 c... | 17616524 |
| Entamoeba histolytica | IC50 | = | 76400.0 | nM | 4.12 | Antiamnesic activity against Entamoeba histolytica NIH 200 after 72 hrs by micro... | 11141105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34910498 | 10.1021/acs.jnatprod.1c00980 | Acetylcholinesterase | 4 |
| 17616524 | 10.1074/jbc.m703272200 | Mu-type opioid receptor | 3 |
| 34910498 | 10.1021/acs.jnatprod.1c00980 | Cholinesterase | 2 |
| 16038566 | 10.1021/np050112+ | PC-12 | 1 |
| 11141105 | 10.1021/np000144r | Plasmodium falciparum | 1 |
| 11141105 | 10.1021/np000144r | Entamoeba histolytica | 1 |
| 11141105 | 10.1021/np000144r | KB | 1 |
| 20097066 | 10.1016/j.bmcl.2010.01.007 | Cyclin-dependent kinase 2 | 1 |
| - | 10.1007/s00044-011-9767-1 | Entamoeba histolytica | 1 |
Data from ChEMBL 36 via Core Engine