Compound Detail
CHEMBL4241044
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Basic Information
| ChEMBL ID | CHEMBL4241044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RASCFMYPAZDCKQ-JOCHJYFZSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
447.5
MW (Da)
3.18
ALogP
6
HBA
3
HBD
109.1
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 7.25 | 7.05 | 56.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | IC50 | = | 56.0 | nM | 7.25 | Inhibition of human IDE using insulin as substrate preincubated for 10 mis follo... | 29873484 |
| Insulin-degrading enzyme | IC50 | = | 56.0 | nM | 7.25 | Inhibition of human recombinant IDE expressed in Escherichia coli BL21 (DE3) cel... | 31276900 |
| Insulin-degrading enzyme | IC50 | = | 60.0 | nM | 7.22 | Inhibition of wild type human IDE catalytic site using insulin as substrate prei... | 31276900 |
| Insulin-degrading enzyme | IC50 | = | 330.0 | nM | 6.48 | Inhibition of human recombinant IDE harboring C110L/C171S/C178A/C257V/C414L/C573... | 31276900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31276900 | 10.1016/j.ejmech.2019.06.057 | Insulin-degrading enzyme | 9 |
| 29873484 | 10.1021/acs.jmedchem.8b00266 | Insulin-degrading enzyme | 1 |
Data from ChEMBL 36 via Core Engine