Compound Detail
CHEMBL1549566
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Basic Information
| ChEMBL ID | CHEMBL1549566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCWFZYQIQZSECP-ONEGZZNKSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.0
MW (Da)
4.71
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.04
EC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NS3 CHEMBL1293269 | IC50 | 5.04 | 5.04 | 9141.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.77 | 4.77 | 16830.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 19820.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 4.68 | 4.68 | 21010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NS3 | IC50 | = | 9141.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Heat shock factor protein 1 | EC50 | = | 16830.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
| Unchecked | IC50 | = | 19820.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
| Insulin-degrading enzyme | IC50 | = | 21010.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
Data from ChEMBL 36 via Core Engine