Compound Detail
CHEMBL4101716
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C=C1/C=C/C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1
Basic Information
| ChEMBL ID | CHEMBL4101716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSEMYQVVFCUPPF-IOHVWIIQSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
732.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.19
Target Activity Profile
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 14.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 640.0 | nM | 6.19 | Cytotoxicity against human K562 cells measured after 72 hrs by MTT assay | 28075592 |
| MCF7 | IC50 | = | 6260.0 | nM | 5.2 | Cytotoxicity against human MCF7 cells incubated for 72 hrs under normoxic condit... | 28075592 |
| MCF7 | IC50 | = | 6810.0 | nM | 5.17 | Cytotoxicity against human MCF7 cells incubated for 72 hrs under hypoxic conditi... | 28075592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28075592 | 10.1021/acs.jmedchem.6b01745 | K562 | 5 |
| 28075592 | 10.1021/acs.jmedchem.6b01745 | Danio rerio | 5 |
| 28075592 | 10.1021/acs.jmedchem.6b01745 | MCF7 | 3 |
| 28075592 | 10.1021/acs.jmedchem.6b01745 | Staphylococcus aureus | 1 |
| 28075592 | 10.1021/acs.jmedchem.6b01745 | Plasma | 1 |
| 28075592 | 10.1021/acs.jmedchem.6b01745 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine