Compound Detail
CHEMBL1393761
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Basic Information
| ChEMBL ID | CHEMBL1393761 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFFCLOOUBDASLM-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
413.0
MW (Da)
5.17
ALogP
3
HBA
2
HBD
48.5
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.34 | 5.34 | 4573.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.8 | 4.8 | 15884.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.55 | 4.55 | 28324.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4573.0 | nM | 5.34 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Insulin-degrading enzyme | EC50 | = | 15884.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| HEK293 | IC50 | = | 28324.0 | nM | 4.55 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
Data from ChEMBL 36 via Core Engine