Compound Detail
CHEMBL1374054
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Basic Information
| ChEMBL ID | CHEMBL1374054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FOBNNSSNVSMNMG-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
242.7
MW (Da)
2.69
ALogP
5
HBA
1
HBD
48.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.47
IC50 2 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Major prion protein CHEMBL4869 | IC50 | 5.68 | 5.68 | 2085.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 5.47 | 5.47 | 3398.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 5.43 | 5.43 | 3671.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 4.79 | 4.79 | 16160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Major prion protein | IC50 | = | 2085.0 | nM | 5.68 | PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 3398.0 | nM | 5.47 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 3671.0 | nM | 5.43 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Mitogen-activated protein kinase 10 | IC50 | = | 16160.0 | nM | 4.79 | PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... | - |
Data from ChEMBL 36 via Core Engine