Compound Detail
CHEMBL1559707
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Basic Information
| ChEMBL ID | CHEMBL1559707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUVGZZSFJUSOFV-AQTBWJFISA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.23
ALogP
8
HBA
1
HBD
75.9
PSA (Ų)
0.33
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.27
IC50 2 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 55 CHEMBL1075322 | EC50 | 6.27 | 6.27 | 531.6 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.55 | 5.55 | 2830.0 | 1 |
| Plectin CHEMBL1293240 | IC50 | 5.25 | 5.25 | 5665.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.0 | 5.0 | 9880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 55 | EC50 | = | 531.62 | nM | 6.27 | PUBCHEM_BIOASSAY: Image-based HTS for Selective Agonists of GPR55. (Class of ass... | - |
| Unchecked | EC50 | = | 2830.0 | nM | 5.55 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Plectin | IC50 | = | 5665.0 | nM | 5.25 | PUBCHEM_BIOASSAY: HTS fluorescence polarization-based dose response confirmatory... | - |
| Ephrin type-A receptor 4 | IC50 | = | 9880.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
Data from ChEMBL 36 via Core Engine