Compound Detail
CHEMBL219864
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COc1cc2c(cc1OCCCOc1cc3c(cc1OC)C(=O)N1CCC[C@H]1[C@H](O)N3C(=O)OCc1ccc(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)N(C(=O)OCc1ccc(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)[C@@H](O)[C@@H]1CCCN1C2=O
Basic Information
| ChEMBL ID | CHEMBL219864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LONMXQUBSCTQFD-YYNFEOSQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1213.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LS174T CHEMBL614097 | IC50 | 9.1 | 8.66 | 0.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LS174T | IC50 | = | 0.8 | nM | 9.1 | Cytotoxicity against LS174T human colon cell line after continuous exposure | 16290933 |
| LS174T | IC50 | = | 6.0 | nM | 8.22 | Cytotoxicity against LS174T human colon cell line after 1 hour of exposure | 16290933 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16290933 | 10.1016/j.bmcl.2005.10.017 | LS174T | 2 |
| 16290933 | 10.1016/j.bmcl.2005.10.017 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine