Compound Detail
CHEMBL3600732
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Basic Information
| ChEMBL ID | CHEMBL3600732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIUNSWTUDREESN-SNVBAGLBSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
294.8
MW (Da)
0.92
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | IC50 | 5.11 | 5.06 | 7700.0 | 2 |
| Baculoviral IAP repeat-containing protein 2 CHEMBL5462 | IC50 | 4.7 | 4.7 | 20000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 7700.0 | nM | 5.11 | Antagonist activity at XIAP-BIR3 domain (unknown origin) assessed as inhibition ... | 26218264 |
| E3 ubiquitin-protein ligase XIAP | IC50 | = | 9800.0 | nM | 5.01 | In vitro Competitive Displacement Binding Assays : Modified SMAC peptides and co... | - |
| Baculoviral IAP repeat-containing protein 2 | IC50 | = | 20000.0 | nM | 4.7 | Antagonist activity at cIAP1-BIR3 domain (unknown origin) assessed as inhibition... | 26218264 |
| Baculoviral IAP repeat-containing protein 2 | IC50 | = | 20000.0 | nM | 4.7 | In vitro Competitive Displacement Binding Assays : Modified SMAC peptides and co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26218264 | 10.1021/acs.jmedchem.5b00706 | E3 ubiquitin-protein ligase XIAP | 1 |
| 26218264 | 10.1021/acs.jmedchem.5b00706 | Baculoviral IAP repeat-containing protein 2 | 1 |
| 35512344 | 10.1021/acs.jmedchem.2c00164 | E3 ubiquitin-protein ligase XIAP | 1 |
Data from ChEMBL 36 via Core Engine