Compound Detail
CHEMBL1591898
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COc1ccc(/C=C2\Oc3cc(OCC(=O)N4CCC(C(=O)O)CC4)ccc3C2=O)c(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL1591898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBWIAEIOEVTIHX-MTJSOVHGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
497.5
MW (Da)
3.03
ALogP
8
HBA
1
HBD
120.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.66 | 4.57 | 22031.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 4.62 | 4.62 | 24011.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | EC50 | = | 22031.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| HEK293 | EC50 | = | 24011.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
| Insulin-degrading enzyme | EC50 | = | 32976.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
Data from ChEMBL 36 via Core Engine