Compound Detail
CHEMBL373766
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)[C@H](C)N)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL373766 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLKFUAKRAIXIBC-MDLJMBGESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
1.17
ALogP
5
HBA
3
HBD
129.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP CHEMBL4198 | Ki | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase XIAP | Ki | = | 580.0 | nM | 6.24 | Binding affinity to recombinant XIAP BIR3 by FP assay | 16962773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16962773 | 10.1016/j.bmcl.2006.08.072 | E3 ubiquitin-protein ligase XIAP | 1 |
Data from ChEMBL 36 via Core Engine