Compound Detail
CHEMBL71466
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Basic Information
| ChEMBL ID | CHEMBL71466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FJEPCSBUTWZVLD-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
223.6
MW (Da)
1.64
ALogP
4
HBA
0
HBD
56.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
EC50 1 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 CHEMBL2169736 | IC50 | 5.35 | 5.35 | 4465.0 | 1 |
| RNA-editing ligase 1, mitochondrial CHEMBL4105928 | IC50 | 4.55 | 4.55 | 28287.0 | 1 |
| Mitochondrial peptide methionine sulfoxide reductase CHEMBL2007622 | EC50 | 4.35 | 4.35 | 44449.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosyl-DNA phosphodiesterase 2 | IC50 | = | 4465.0 | nM | 5.35 | PubChem BioAssay. Epi Absorbance-based biochemical high throughput dose response... | - |
| RNA-editing ligase 1, mitochondrial | IC50 | = | 28287.0 | nM | 4.55 | PubChem BioAssay. Fluorescence-based biochemical high throughput dose response a... | - |
| Mitochondrial peptide methionine sulfoxide reductase | EC50 | = | 44449.0 | nM | 4.35 | PUBCHEM_BIOASSAY: Absorbance-based biochemical high throughput dose response ass... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10465544 | 10.1016/s0960-894x(99)00369-8 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine