Compound Detail
CHEMBL2324205
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N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Basic Information
| ChEMBL ID | CHEMBL2324205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMVUAWOMMQTCFN-FPCALVHFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
678.8
MW (Da)
-0.25
ALogP
9
HBA
11
HBD
282.1
PSA (Ų)
0.03
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | Ki | 7.07 | 6.53 | 85.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | Ki | = | 85.1 | nM | 7.07 | Inhibition of human recombinant IDE-mediated FRET1 degradation | 23437776 |
| Insulin-degrading enzyme | Ki | = | 365.0 | nM | 6.44 | Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin... | 23437776 |
| Insulin-degrading enzyme | Ki | = | 833.0 | nM | 6.08 | Inhibition of human recombinant IDE-mediated insulin degradation | 23437776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23437776 | 10.1021/jm301280p | Insulin-degrading enzyme | 3 |
Data from ChEMBL 36 via Core Engine