Compound Detail
CHEMBL2430037
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C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2430037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSOMSXJOAJCAIV-YFNOCVKUSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1207.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.74 | 4.74 | 18390.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.71 | 4.71 | 19560.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.67 | 4.67 | 21560.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.56 | 4.56 | 27310.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.53 | 4.53 | 29290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 18390.0 | nM | 4.74 | Cytotoxicity against human HepG2 cells assessed as cell viability after 72 hrs b... | 23992864 |
| HeLa | IC50 | = | 19560.0 | nM | 4.71 | Cytotoxicity against human HeLa cells assessed as cell viability after 72 hrs by... | 23992864 |
| HL-60 | IC50 | = | 21560.0 | nM | 4.67 | Cytotoxicity against human HL60 cells assessed as cell viability after 72 hrs by... | 23992864 |
| A549 | IC50 | = | 27310.0 | nM | 4.56 | Cytotoxicity against human A549 cells assessed as cell viability after 72 hrs by... | 23992864 |
| NON-PROTEIN TARGET | IC50 | = | 29290.0 | nM | 4.53 | Cytotoxicity against human U87MG cells assessed as cell viability after 72 hrs b... | 23992864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23992864 | 10.1016/j.bmcl.2013.08.006 | NON-PROTEIN TARGET | 1 |
| 23992864 | 10.1016/j.bmcl.2013.08.006 | HeLa | 1 |
| 23992864 | 10.1016/j.bmcl.2013.08.006 | A549 | 1 |
| 23992864 | 10.1016/j.bmcl.2013.08.006 | HL-60 | 1 |
| 23992864 | 10.1016/j.bmcl.2013.08.006 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine