Compound Detail
CHEMBL2324203
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C=CCOC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CC(=O)NO)Cc1ccc2ccccc2c1
Basic Information
| ChEMBL ID | CHEMBL2324203 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGXAXYLGCICSGR-UXHICEINSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
1.37
ALogP
6
HBA
6
HBD
166.6
PSA (Ų)
0.05
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | Ki | 7.06 | 6.64 | 87.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | Ki | = | 87.0 | nM | 7.06 | Inhibition of human recombinant IDE-mediated FRET1 degradation | 23437776 |
| Insulin-degrading enzyme | Ki | = | 107.0 | nM | 6.97 | Inhibition of human recombinant IDE-mediated fluorescein-Abeta-(1-40)-Lys-biotin... | 23437776 |
| Insulin-degrading enzyme | Ki | = | 1280.0 | nM | 5.89 | Inhibition of human recombinant IDE-mediated insulin degradation | 23437776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23437776 | 10.1021/jm301280p | Unchecked | 5 |
| 23437776 | 10.1021/jm301280p | Insulin-degrading enzyme | 3 |
Data from ChEMBL 36 via Core Engine