Compound Detail
CHEMBL3903824
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CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)c2ccc(COc3ccc(CN(NC(=O)[C@H](C)NC)C(=O)C4CCC[C@@H]4C(=O)NC4CCCc5ccccc54)cc3)cc2)CC1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
Basic Information
| ChEMBL ID | CHEMBL3903824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCTAIOPAYXJDHB-CVLHRNLYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1066.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | IC50 | 10.1 | 9.52 | 0.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 0.08 | nM | 10.1 | Fluorescence Polarization Assay: Assays were performed in black, flat-bottom, 38... | - |
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 0.08 | nM | 10.1 | Fluorescence Polarization Assay: Assays were performed in black, flat-bottom, 38... | - |
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 1.14 | nM | 8.94 | AlphaScreen Assay: Assays were performed in white, flat-bottom, 384-well ProxiPl... | - |
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 1.14 | nM | 8.94 | AlphaScreen Assay: Assays were performed in white, flat-bottom, 384-well ProxiPl... | - |
Data from ChEMBL 36 via Core Engine