Compound Detail
CHEMBL246446
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Basic Information
| ChEMBL ID | CHEMBL246446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDEQHYWMTHWMQF-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
3.85
ALogP
5
HBA
1
HBD
89.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.72
EC50 2 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.72 | 5.2833 | 1919.0 | 3 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.99 | 4.99 | 10150.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.71 | 4.71 | 19508.0 | 1 |
| Troponin, cardiac muscle CHEMBL2095202 | IC50 | 4.68 | 4.68 | 20888.0 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.27 | 4.27 | 53150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1919.0 | nM | 5.72 | PubChem BioAssay. TR-FRET-based biochemical high throughput dose response assay ... | - |
| Unchecked | IC50 | = | 4390.0 | nM | 5.36 | PubChem BioAssay. Counterscreen for inhibitors of LEDGF/p75-dependent integratio... | - |
| Zinc finger protein mex-5 | EC50 | = | 10150.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Unchecked | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of HCV NS5B RdRp | 17258458 |
| RNA-binding protein pos-1 | EC50 | = | 19508.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Troponin, cardiac muscle | IC50 | = | 20888.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 53150.0 | nM | 4.27 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17258458 | 10.1016/j.bmcl.2006.12.103 | Unchecked | 1 |
| 21478016 | 10.1016/j.bmcl.2011.03.042 | Unchecked | 1 |
| 21478016 | 10.1016/j.bmcl.2011.03.042 | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine