Compound Detail
CHEMBL4170586
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C/C1=C\CC(O)C(C)C(C(NC(=O)C(C)C(O)CCC(C)C(O)/C(C)=C/C(C)(C)C(O)C(CC(C)C)NC(=O)/C=C/C(C)(C)C(=O)C(C)C(O)C(C)C)C(C)O)OC(=O)[C@H](O)[C@H](C(=O)O)NC(=O)/C=C/C=C/C=C/C=C/C=C/CC2CC(C)CC(CC(O)C(C)C(O)/C(C)=C/C(C)C1O)O2
Basic Information
| ChEMBL ID | CHEMBL4170586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKERKBKCKMBUCN-ZFEGRHOGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1410.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3Y1 cell line CHEMBL614741 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3Y1 cell line | IC50 | = | 4.1 | nM | 8.39 | Cytotoxicity against rat 3Y1 cells after 72 hrs by MTT assay | 29701963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29701963 | 10.1021/acs.jnatprod.8b00180 | 3Y1 cell line | 2 |
Data from ChEMBL 36 via Core Engine