Compound Detail
CHEMBL4110918
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NCCCC[C@@H]1NC(=O)/C=C/C(=O)NC(C(N)=O)CCCCNC(=O)[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)NC(=O)[C@H](CC2CCCCC2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4110918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHZABWWULWHRIY-ACWJXPKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
757.9
MW (Da)
1.84
ALogP
8
HBA
7
HBD
231.7
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
| Insulin-degrading enzyme CHEMBL3232680 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 65.0 | nM | 7.19 | IDE Activity Assay: Macrocycles were assayed for IDE inhibition by monitoring cl... | - |
| Insulin-degrading enzyme | IC50 | = | 90.0 | nM | 7.05 | IDE Activity Assay: Macrocycles were assayed for IDE inhibition by monitoring cl... | - |
Data from ChEMBL 36 via Core Engine