Compound Detail
CHEMBL4437643
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COC(=O)NC[C@@H](Cc1cnc2ccccc2c1)c1ccc(OCCCCCc2ccc(NC(=O)[C@H](C3CCCCC3)N3CCC[C@H](N)C3=O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4437643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGRIVAWLJUPVMM-UDEWTJCRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
734.0
MW (Da)
7.55
ALogP
7
HBA
3
HBD
135.9
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 4.0 | nM | 8.4 | Inhibition of recombinant IDE exosite (unknown origin) expressed in Escherichia ... | 31276900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31276900 | 10.1016/j.ejmech.2019.06.057 | Insulin-degrading enzyme | 1 |
Data from ChEMBL 36 via Core Engine