Compound Detail
CHEMBL4552035
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CS(=O)(=O)c1cc(S(F)(F)(F)(F)F)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O
Basic Information
| ChEMBL ID | CHEMBL4552035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXOKTNHNKMORHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
582.8
MW (Da)
5.38
ALogP
6
HBA
3
HBD
120.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WD repeat-containing protein 5 CHEMBL1075317 | Kd | 7.35 | 7.35 | 45.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 3e-06 | - | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WD repeat-containing protein 5 | Kd | = | 45.0 | nM | 7.35 | 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 | ADMET | 2 |
| 31724864 | 10.1021/acs.jmedchem.9b01411 | WD repeat-containing protein 5 | 1 |
| 31724864 | 10.1021/acs.jmedchem.9b01411 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine