Compound Detail
CHEMBL1773333
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CN1CCN(S(=O)(=O)c2ccc(-c3ccnc(NC4CCN(S(N)(=O)=O)CC4)n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL1773333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFMOCFOSJHTDQW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
495.6
MW (Da)
0.16
ALogP
8
HBA
2
HBD
141.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 5.37 | 5.37 | 4250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 4250.0 | nM | 5.37 | Inhibition of IKK2 using 5-FAM-GRHDSGLDSMK-NH2 as substrate by TR-FRET assay | 21489792 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21489792 | 10.1016/j.bmcl.2011.03.044 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 2 |
Data from ChEMBL 36 via Core Engine