Compound Detail
CHEMBL1543331
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Basic Information
| ChEMBL ID | CHEMBL1543331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRGCZRLDXAZCCX-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
371.1
MW (Da)
4.15
ALogP
3
HBA
0
HBD
29.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.86
EC50 2 meas. best 4.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Major prion protein CHEMBL4869 | IC50 | 5.86 | 5.86 | 1382.0 | 1 |
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 5.85 | 5.85 | 1421.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 5.63 | 5.63 | 2362.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.65 | 4.5 | 22200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Major prion protein | IC50 | = | 1382.0 | nM | 5.86 | PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... | - |
| Photoreceptor-specific nuclear receptor | IC50 | = | 1421.0 | nM | 5.85 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 2362.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| Unchecked | EC50 | = | 22200.0 | nM | 4.65 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 44500.0 | nM | 4.35 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine