Compound Detail
CHEMBL4483349
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N#CC1(c2cc(NS(=O)(=O)c3cc(Br)cc(Cl)c3O)c(O)c(C(=O)O)c2)CCCCC1
Basic Information
| ChEMBL ID | CHEMBL4483349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYQBJFOHGUHFHE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
529.8
MW (Da)
4.74
ALogP
6
HBA
4
HBD
147.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | Kd | = | 38.0 | nM | 7.42 | 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 | 4 |
Data from ChEMBL 36 via Core Engine