Compound Detail
CHEMBL1761515
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NC(=O)c1cc(-c2ccccc2)cc2c(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)c[nH]c12
Basic Information
| ChEMBL ID | CHEMBL1761515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMOPCAUVXKIAKQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
494.0
MW (Da)
5.16
ALogP
3
HBA
2
HBD
96.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 6.4 | 6.4 | 398.1 | 1 |
| Inhibitor of nuclear factor kappa-B kinase subunit alpha CHEMBL3476 | IC50 | 5.1 | 5.1 | 7943.3 | 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 | = | 398.11 | nM | 6.4 | Inhibition of IKK-beta | 21429745 |
| Inhibitor of nuclear factor kappa-B kinase subunit alpha | IC50 | = | 7943.28 | nM | 5.1 | Inhibition of IKK-alpha | 21429745 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21429745 | 10.1016/j.bmcl.2011.02.107 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 21429745 | 10.1016/j.bmcl.2011.02.107 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 1 |
Data from ChEMBL 36 via Core Engine