Compound Detail
CHEMBL4576812
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NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cn(Cc3cccc(Br)c3)c3ccccc23)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4576812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNCAZJJUZZNNAR-AVSDHJAHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
616.5
MW (Da)
2.22
ALogP
10
HBA
4
HBD
169.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 100.0 | nM | 7.0 | Inhibition of SAE (unknown origin) using recombinant His-tagged human SUMO1 meas... | - |
Data from ChEMBL 36 via Core Engine