Compound Detail
CHEMBL577096
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CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OCc3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](OC(=O)CCCSSCCCC(=O)OCCN(Cc4ccccc4)Cc4ccc(/C=C/C(=O)NO)cc4)[C@@H](NC(=O)C4CCC4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
Basic Information
| ChEMBL ID | CHEMBL577096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALKSBRNDUIJYLL-CWIBIZOLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1346.6
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| IGROV-1 CHEMBL613984 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| IGROV-1 | IC50 | = | 740.0 | nM | 6.13 | Antiproliferative activity against human IGROV1 cells assessed as growth inhibit... | 19833515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19833515 | 10.1016/j.bmcl.2009.09.075 | IGROV-1 | 1 |
Data from ChEMBL 36 via Core Engine