Compound Detail
CHEMBL1077120
SALINOMYCIN SODIUM Enter ChEMBL ID:
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CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)[O-])CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C.[Na+]
Basic Information
| ChEMBL ID | CHEMBL1077120 |
| Name | SALINOMYCIN SODIUM |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPZYGIQXBGHDBH-UZHRAPRISA-M |
| Parent Compound | CHEMBL1208572 |
| Active Moiety | CHEMBL1208572 |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
751.0
MW (Da)
6.19
ALogP
10
HBA
4
HBD
161.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Ki 2 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium berghei CHEMBL612653 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| Solute carrier organic anion transporter family member 1B1 CHEMBL1697668 | Ki | 5.69 | 5.69 | 2030.0 | 1 |
| Solute carrier organic anion transporter family member 1B3 CHEMBL1743121 | Ki | 5.48 | 5.48 | 3310.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium berghei | IC50 | = | 2.0 | nM | 8.7 | HARVARD: Inhibition of liver stage Plasmodium berghei infection in HepG2 cells | 22586124 |
| MCF7 | IC50 | = | 590.0 | nM | 6.23 | Antiproliferative activity against human MCF7 cells | 30684870 |
| Solute carrier organic anion transporter family member 1B1 | Ki | = | 2030.0 | nM | 5.69 | Ki values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cells | 23571415 |
| Solute carrier organic anion transporter family member 1B3 | Ki | = | 3310.0 | nM | 5.48 | Ki values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cells | 23571415 |
| HepG2 | IC50 | = | 58000.0 | nM | 4.24 | HARVARD: Cytotoxicity in HepG2 cell line | 22586124 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 2 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 2 |
| 19361990 | 10.1016/j.bmcl.2009.03.103 | Unchecked | 1 |
| 22586124 | 10.1073/pnas.1118370109 | HepG2 | 1 |
| 22586124 | 10.1073/pnas.1118370109 | Plasmodium berghei | 1 |
| 25891104 | 10.1016/j.bmcl.2015.03.085 | Bacillus anthracis | 1 |
| 30684870 | 10.1016/j.ejmech.2019.01.034 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine