Compound Detail
CHEMBL4515314
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Cc1cccc(Cn2cc(C(=O)c3cncnc3N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c3cc(F)ccc32)c1
Basic Information
| ChEMBL ID | CHEMBL4515314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OHKMEPULKHPDSE-DPJTZOKTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
569.6
MW (Da)
1.90
ALogP
10
HBA
4
HBD
169.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUMO-activating enzyme CHEMBL2095174 | IC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUMO-activating enzyme | IC50 | = | 680.0 | nM | 6.17 | Inhibition of SAE (unknown origin) using recombinant His-tagged human SUMO1 meas... | - |
Data from ChEMBL 36 via Core Engine