Compound Detail
CHEMBL4568894
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CC(C)(O)[C@H](F)CN1Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(N4CC(F)(F)C4)CC3)cc2C1=O
Basic Information
| ChEMBL ID | CHEMBL4568894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSYLYLDWUSADHO-HSZRJFAPSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
571.6
MW (Da)
2.97
ALogP
8
HBA
2
HBD
106.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.96
Ki 1 meas. best 8.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 9.96 | 9.96 | 0.1 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 8.47 | 8.47 | 3.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 0.11 | nM | 9.96 | Inhibition of IRAK4 in human whole blood assessed as inhibition of R848-induced ... | 32184965 |
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 3.4 | nM | 8.47 | Inhibition of recombinant full-length N-terminal His6-tagged human IRAK4 express... | 32184965 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184965 | 10.1021/acsmedchemlett.9b00380 | Interleukin-1 receptor-associated kinase 4 | 3 |
| 32184965 | 10.1021/acsmedchemlett.9b00380 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine