Compound Detail
CHEMBL1303289
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CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N(CC)CC(=O)Nc3ccc(OC)cc3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL1303289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VAJGFMQTJJPKGY-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
523.1
MW (Da)
2.78
ALogP
6
HBA
1
HBD
99.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 5.49 | 5.41 | 3265.0 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3A CHEMBL1741179 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 5.46 | 5.46 | 3430.0 | 1 |
| Eukaryotic translation initiation factor 4H CHEMBL1293274 | IC50 | 4.68 | 4.375 | 21000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyadenylate-binding protein 1 | IC50 | = | 3265.0 | nM | 5.49 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
| DNA dC->dU-editing enzyme APOBEC-3A | IC50 | = | 3400.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3A DNA Deam... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 3430.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Dose Response confirmation of APOBEC3A DNA Deaminase Inhibitor... | - |
| Polyadenylate-binding protein 1 | IC50 | = | 4680.0 | nM | 5.33 | PUBCHEM_BIOASSAY: SAR analysis for the identification of translation initiation ... | - |
| Eukaryotic translation initiation factor 4H | IC50 | = | 21000.0 | nM | 4.68 | PUBCHEM_BIOASSAY: SAR analysis for the identification of translation initiation ... | - |
| Eukaryotic translation initiation factor 4H | IC50 | = | 85930.0 | nM | 4.07 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
Data from ChEMBL 36 via Core Engine