Compound Detail
CHEMBL3980383
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NC(=O)CC[C@@H]1NC(=O)/C=C\C(=O)NNCCCCC(C(=O)O)NCCCCNC(=O)[C@@H](Cc2ccc(C(=O)c3ccccc3)cc2)NC(=O)[C@H](CC2CCCCC2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL3980383 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYIVECADOSLIMO-MTILWAEYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
845.0
MW (Da)
1.45
ALogP
10
HBA
9
HBD
267.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 54.0 | nM | 7.27 | IDE Activity Assay: Macrocycles were assayed for IDE inhibition by monitoring cl... | - |
Data from ChEMBL 36 via Core Engine