Compound Detail
CHEMBL3214310
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C/C(=N\OCc1nc2ccccc2c(=O)n1/N=C/c1cc(C)cc([N+](=O)[O-])c1O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3214310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVZFZRUFDHPYPT-FGBVKBMJSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
471.5
MW (Da)
4.14
ALogP
9
HBA
1
HBD
132.2
PSA (Ų)
0.24
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
EC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 5.92 | 5.49 | 1200.0 | 2 |
| Galanin receptor type 3 CHEMBL2731 | IC50 | 5.47 | 5.47 | 3390.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.11 | 4.11 | 78032.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 1200.0 | nM | 5.92 | PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... | - |
| Galanin receptor type 3 | IC50 | = | 3390.0 | nM | 5.47 | PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... | - |
| SUMO-activating enzyme | IC50 | = | 8770.0 | nM | 5.06 | PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... | - |
| Unchecked | EC50 | = | 78032.0 | nM | 4.11 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
Data from ChEMBL 36 via Core Engine