Compound Detail
CHEMBL5557739
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Cc1ccc(C(=O)N(CCCNC(=O)CCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](C2=Nc3cc(Cl)ccc3CN2Cc2ccccc2)C(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL5557739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDQXEIJEBCQNQZ-IONAWPRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1032.8
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 46.0 | nM | 7.34 | Antiproliferative activity against human A2780 cells assessed as reduction in ce... | 37413882 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 490.0 | nM | 6.31 | Inhibition of NAMPT (unknown origin) | 37413882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37413882 | 10.1016/j.ejmech.2023.115607 | A2780 | 1 |
| 37413882 | 10.1016/j.ejmech.2023.115607 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine