Compound Detail
CHEMBL1705738
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O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL1705738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXXDIADJIXDQTB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
2.30
ALogP
8
HBA
0
HBD
122.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | EC50 | 5.96 | 5.96 | 1089.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 5.5 | 5.47 | 3160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | EC50 | = | 1089.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Insulin-degrading enzyme | EC50 | = | 3160.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| Insulin-degrading enzyme | EC50 | = | 3639.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
Data from ChEMBL 36 via Core Engine