Compound Detail
CHEMBL1966612
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Basic Information
| ChEMBL ID | CHEMBL1966612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTRVITGVFDLNCO-VLGSPTGOSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.3
MW (Da)
3.91
ALogP
5
HBA
0
HBD
43.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.99
IC50 2 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Major prion protein CHEMBL4869 | IC50 | 5.58 | 5.58 | 2604.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 4.99 | 4.99 | 10340.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.97 | 4.97 | 10630.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 CHEMBL2095161 | EC50 | 4.74 | 4.74 | 18110.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.31 | 4.31 | 48617.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Major prion protein | IC50 | = | 2604.0 | nM | 5.58 | PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 10340.0 | nM | 4.99 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 10630.0 | nM | 4.97 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 | EC50 | = | 18110.0 | nM | 4.74 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| NON-PROTEIN TARGET | IC50 | = | 48617.0 | nM | 4.31 | PubChem BioAssay. Counterscreen for inhibitors of cell surface Prion Protein (Pr... | - |
Data from ChEMBL 36 via Core Engine