Compound Detail
CHEMBL1625863
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CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)Nc1cccc2ccccc12)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL1625863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLKBWOYLJUESSU-NDXORKPFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.6
MW (Da)
2.67
ALogP
4
HBA
4
HBD
99.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | Ki | 5.34 | 5.34 | 4540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP | Ki | = | 4540.0 | nM | 5.34 | Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence pola... | 23743278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23743278 | 10.1016/j.bmcl.2013.04.096 | E3 ubiquitin-protein ligase XIAP | 3 |
Data from ChEMBL 36 via Core Engine