Compound Detail
CHEMBL3950322
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CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(NCc2ccc(C(=O)NC3C[C@@H](C(=O)NC4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H]1CCCc2ccccc21
Basic Information
| ChEMBL ID | CHEMBL3950322 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQGQESOASZCZRS-BRUXDLPLSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1127.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | IC50 | 9.85 | 9.405 | 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 | = | 0.14 | nM | 9.85 | Fluorescence Polarization Assay: Assays were performed in black, flat-bottom, 38... | - |
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 0.14 | nM | 9.85 | Fluorescence Polarization Assay: Assays were performed in black, flat-bottom, 38... | - |
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 1.1 | nM | 8.96 | AlphaScreen Assay: Assays were performed in white, flat-bottom, 384-well ProxiPl... | - |
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 1.1 | nM | 8.96 | AlphaScreen Assay: Assays were performed in white, flat-bottom, 384-well ProxiPl... | - |
Data from ChEMBL 36 via Core Engine