Compound Detail
CHEMBL4061227
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
Basic Information
| ChEMBL ID | CHEMBL4061227 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHTWGYQDULVTTE-NJIVVBIYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
3.14
ALogP
5
HBA
2
HBD
66.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
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 |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 7.8 | 7.49 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of recombinant full length His-tagged human IRAK4 expressed in baculo... | 29172502 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 66.0 | nM | 7.18 | Inhibition of IRAK4 in human KARPAS299 cells assessed as reduction in IL-1 stimu... | 29172502 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29172502 | 10.1021/acs.jmedchem.7b01290 | Interleukin-1 receptor-associated kinase 4 | 2 |
| 29172502 | 10.1021/acs.jmedchem.7b01290 | No relevant target | 1 |
| 29172502 | 10.1021/acs.jmedchem.7b01290 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine