Compound Detail
CHEMBL5440783
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CCc1c2c(nc3ccc(OCc4ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCN5C(=O)CC(SCCOCCOCCOc6cc(O)c(C(=O)CCc7ccc(O)cc7)c(O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)c6)C5=O)C(C)C)cc4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
Basic Information
| ChEMBL ID | CHEMBL5440783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UWRXUNZUQWELDQ-OANLTZRASA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1517.7
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 36.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 3250.0 | nM | 5.49 | Cytotoxicity against human HCT-116 cells incubated for 48 hrs by SRB assay | 37413981 |
| COLO 205 | IC50 | = | 15430.0 | nM | 4.81 | Cytotoxicity against human COLO 205 cells incubated for 48 hrs by SRB assay | 37413981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37413981 | 10.1021/acs.jmedchem.3c00476 | ADMET | 12 |
| 37413981 | 10.1021/acs.jmedchem.3c00476 | Unchecked | 2 |
| 37413981 | 10.1021/acs.jmedchem.3c00476 | HCT-116 | 1 |
| 37413981 | 10.1021/acs.jmedchem.3c00476 | HT-29 | 1 |
| 37413981 | 10.1021/acs.jmedchem.3c00476 | COLO 205 | 1 |
Data from ChEMBL 36 via Core Engine