Compound Detail
CHEMBL3191688
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Basic Information
| ChEMBL ID | CHEMBL3191688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RJFWCGLEYWNSGE-HIASSRJUSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.50
ALogP
5
HBA
2
HBD
82.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.78
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.78 | 4.78 | 16644.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.74 | 4.575 | 18300.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 4.58 | 4.58 | 26588.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | EC50 | = | 16644.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| Unchecked | EC50 | = | 18300.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| HEK293 | IC50 | = | 26588.0 | nM | 4.58 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
| Unchecked | EC50 | = | 38700.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine