Compound Detail
CHEMBL2324204
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N=C(N)NCCC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NO
Basic Information
| ChEMBL ID | CHEMBL2324204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGBDRUKCEWTPAF-YXINZVNLSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
701.8
MW (Da)
0.52
ALogP
8
HBA
11
HBD
277.6
PSA (Ų)
0.02
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | Ki | 7.3 | 6.4767 | 49.8 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | Ki | = | 49.8 | nM | 7.3 | Inhibition of human recombinant IDE-mediated FRET1 degradation | 23437776 |
| Insulin-degrading enzyme | Ki | = | 228.0 | nM | 6.64 | Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin... | 23437776 |
| Insulin-degrading enzyme | Ki | = | 3260.0 | nM | 5.49 | Inhibition of human recombinant IDE-mediated insulin degradation | 23437776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23437776 | 10.1021/jm301280p | Insulin-degrading enzyme | 4 |
Data from ChEMBL 36 via Core Engine