Compound Detail
CHEMBL4580824
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NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2cn(Cc3cccc(N4CCOCC4)c3)c3ccc(F)cc23)[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL4580824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXOQCSFIVOZOEF-OIYQIAEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
640.7
MW (Da)
1.43
ALogP
12
HBA
4
HBD
182.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NEDD8 activating enzyme CHEMBL3831283 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NEDD8 activating enzyme | IC50 | = | 13.0 | nM | 7.89 | Inhibition of NAE (unknown origin) using GST-tagged Ubc12 and Flag-tagged Nedd8 ... | - |
Data from ChEMBL 36 via Core Engine