Compound Detail
CHEMBL2324219
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CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)[C@H](CC(=O)NO)Cc1ccc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL2324219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVPKZNPMQMJTQL-NYKRYVCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
742.8
MW (Da)
1.79
ALogP
8
HBA
10
HBD
268.7
PSA (Ų)
0.02
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | Ki | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | Ki | = | 78.0 | nM | 7.11 | Inhibition of human recombinant IDE-mediated FRET1 degradation | 23437776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23437776 | 10.1021/jm301280p | Insulin-degrading enzyme | 1 |
Data from ChEMBL 36 via Core Engine