Compound Detail
CHEMBL1385494
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CC1=C/C(=C(/c2cc(C)c(O)c(Br)c2)c2ccccc2S(=O)(=O)O)C=C(Br)C1=O.N
Basic Information
| ChEMBL ID | CHEMBL1385494 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAKAXIALGWLNKW-UGAWPWHASA-N |
| Parent Compound | CHEMBL1618897 |
| Active Moiety | CHEMBL1618897 |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
540.2
MW (Da)
5.32
ALogP
4
HBA
2
HBD
91.7
PSA (Ų)
0.51
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 5.17 | 5.17 | 6805.0 | 1 |
| Eukaryotic translation initiation factor 4H CHEMBL1293274 | IC50 | 5.08 | 5.08 | 8280.0 | 1 |
| Matrix metalloproteinase-14 CHEMBL3869 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.46 | 4.41 | 34300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyadenylate-binding protein 1 | IC50 | = | 6805.0 | nM | 5.17 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
| Eukaryotic translation initiation factor 4H | IC50 | = | 8280.0 | nM | 5.08 | PUBCHEM_BIOASSAY: uHTS fluorescence polarization assay for the identification of... | - |
| Matrix metalloproteinase-14 | IC50 | = | 18500.0 | nM | 4.73 | PubChem BioAssay. Dose Response confirmation of uHTS hits for a small molecule i... | - |
| Protein skinhead-1 | IC50 | = | 34300.0 | nM | 4.46 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 43930.0 | nM | 4.36 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Data from ChEMBL 36 via Core Engine