Compound Detail
CHEMBL4095060
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COc1ccc(C2=CC(=O)C(=O)c3c(-c4ccccc4)cn(S(=O)(=O)c4ccccc4)c32)cc1
Basic Information
| ChEMBL ID | CHEMBL4095060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKJPTWDBLREOSX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
4.60
ALogP
6
HBA
0
HBD
82.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ELAV-like protein 1 CHEMBL1250379 | Ki | 7.39 | 7.39 | 41.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ELAV-like protein 1 | Ki | = | 41.0 | nM | 7.39 | Binding affinity to human full length recombinant His-tagged HuR expressed in Es... | 29313684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29313684 | 10.1021/acs.jmedchem.7b01176 | ELAV-like protein 1 | 1 |
Data from ChEMBL 36 via Core Engine