Compound Detail
CHEMBL516106
SODIUMARTELINATE Enter ChEMBL ID:
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C[C@H]1[C@@H](OCc2ccc(C(=O)[O-])cc2)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.[Na+]
Basic Information
| ChEMBL ID | CHEMBL516106 |
| Name | SODIUMARTELINATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLDAUVZOFWOFKP-JBPNRQLNSA-M |
| Parent Compound | CHEMBL477080 |
| Active Moiety | CHEMBL477080 |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.11
ALogP
6
HBA
1
HBD
83.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.91 | 4.91 | 12200.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 258.7 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 12200.0 | nM | 4.91 | Cytotoxicity against mouse Ehrlich Ascites carcinoma by trypan blue exclusion as... | 17618015 |
| NON-PROTEIN TARGET | IC50 | = | 12200.0 | nM | 4.91 | Cytotoxicity against mouse EAC after 3 days by MTT assay | 8350087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17618015 | 10.1016/j.ejmech.2007.04.019 | NON-PROTEIN TARGET | 2 |
| 8350087 | 10.1021/np50096a007 | NON-PROTEIN TARGET | 2 |
| 8350087 | 10.1021/np50096a007 | Molecular identity unknown | 1 |
| - | 10.1039/C2MD00277A | ADMET | 1 |
Data from ChEMBL 36 via Core Engine