Compound Detail
CHEMBL1326814
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Basic Information
| ChEMBL ID | CHEMBL1326814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXYUKFXMRKODMT-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.59
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.73
EC50 2 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor CHEMBL4374 | IC50 | 6.73 | 6.73 | 185.5 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 CHEMBL2096976 | IC50 | 6.71 | 6.71 | 196.2 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.78 | 4.78 | 16633.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.63 | 4.63 | 23596.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.26 | 4.26 | 54730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Photoreceptor-specific nuclear receptor | IC50 | = | 185.5 | nM | 6.73 | PUBCHEM_BIOASSAY: TR-FRET-based biochemical high throughput dose response assay ... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor corepressor 2 | IC50 | = | 196.21 | nM | 6.71 | PUBCHEM_BIOASSAY: Counterscreen for agonists of nuclear receptor subfamily 2, gr... | - |
| Zinc finger protein mex-5 | EC50 | = | 16633.0 | nM | 4.78 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 23596.0 | nM | 4.63 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 54730.0 | nM | 4.26 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
Data from ChEMBL 36 via Core Engine