Compound Detail
CHEMBL4573903
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CS(=O)(=O)c1cc(C2(C#N)CCC2)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O
Basic Information
| ChEMBL ID | CHEMBL4573903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUJUXKUBROGCLA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
535.8
MW (Da)
3.66
ALogP
7
HBA
3
HBD
144.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | Kd | = | 110.0 | nM | 6.96 | Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged... | 31724864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31724864 | 10.1021/acs.jmedchem.9b01411 | WD repeat-containing protein 5 | 1 |
Data from ChEMBL 36 via Core Engine