Compound Detail
CHEMBL5434442
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Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCNC(=O)c2ccc(CN3CCN(S(=O)(=O)c4ccc(NC(=S)NCc5cccnc5)cc4)CC3)cc2)C(C)(C)C)cc1
Basic Information
| ChEMBL ID | CHEMBL5434442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJRWRYBOCSUYIN-IWIXZVHYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1185.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.2
IC50 1 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor/Nicotinamide phosphoribosyltransferase CHEMBL5465234 | EC50 | 9.2 | 9.2 | 0.6 | 1 |
| Nicotinamide phosphoribosyltransferase CHEMBL1744525 | IC50 | 8.02 | 8.02 | 9.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor/Nicotinamide phosphoribosyltransferase | EC50 | = | 0.63 | nM | 9.2 | PROTAC activity at VHL/NAMPT in human A2780 cells assessed as protein degradatio... | 37369332 |
| Nicotinamide phosphoribosyltransferase | IC50 | = | 9.5 | nM | 8.02 | Inhibition of human NAMPT in A2780 cells | 38244254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37369332 | 10.1016/j.bmcl.2023.129393 | A2780 | 1 |
| 37369332 | 10.1016/j.bmcl.2023.129393 | von Hippel-Lindau disease tumor suppressor/Nicotinamide phosphoribosyltransferase | 1 |
| 38244254 | 10.1016/j.bmc.2024.117595 | Nicotinamide phosphoribosyltransferase | 1 |
Data from ChEMBL 36 via Core Engine