Compound Detail
CHEMBL1807619
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(NC[C@@H]1C[C@@H](F)CN1)c1ccc(-c2cnc3ccc(NC4CCCC4)nn23)cc1F
Basic Information
| ChEMBL ID | CHEMBL1807619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLKSMJZJHGIIIB-WBVHZDCISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.32
ALogP
6
HBA
3
HBD
83.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Blood CHEMBL613561 | IC50 | 6.51 | 6.51 | 310.0 | 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 | = | 16.0 | nM | 7.8 | Inhibition of his-tagged IKK-beta after 2 hrs | 21705219 |
| Blood | IC50 | = | 310.0 | nM | 6.51 | Inhibition of LPS-induced TNFalpha production in BALB/c mouse whole blood after ... | 21705219 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21705219 | 10.1016/j.bmcl.2011.05.115 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 21705219 | 10.1016/j.bmcl.2011.05.115 | Blood | 1 |
| 21705219 | 10.1016/j.bmcl.2011.05.115 | Plasma | 1 |
| 21705219 | 10.1016/j.bmcl.2011.05.115 | Liver | 1 |
| 21705219 | 10.1016/j.bmcl.2011.05.115 | Liver microsomes | 1 |
| 21705219 | 10.1016/j.bmcl.2011.05.115 | No relevant target | 1 |
| 21705219 | 10.1016/j.bmcl.2011.05.115 | ADMET | 1 |
| 21705219 | 10.1016/j.bmcl.2011.05.115 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine