Compound Detail
CHEMBL3196438
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Basic Information
| ChEMBL ID | CHEMBL3196438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWHLRVXYIQNBNG-FYJGNVAPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.28
ALogP
5
HBA
2
HBD
86.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.58
IC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.14 | 5.14 | 7200.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.58 | 4.58 | 25995.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 7200.0 | nM | 5.14 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Insulin-degrading enzyme | EC50 | = | 25995.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
Data from ChEMBL 36 via Core Engine