Compound Detail
CHEMBL4443947
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
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](NC(=O)CCOCCOCCOCC#Cc2cnc(OC[C@@H]3CCC(=O)N3)c3cc(OC)c(C(N)=O)cc23)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL4443947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGZACTPFSVITBX-IHPDELBNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
995.2
MW (Da)
2.74
ALogP
13
HBA
6
HBD
250.9
PSA (Ų)
0.06
QED
3
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 10.66 | 10.66 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 0.022 | nM | 10.66 | Binding affinity to human IRK4 using myelin basic protein as substrate by [gamma... | 31312412 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31312412 | 10.1021/acsmedchemlett.9b00219 | E3 ubiquitin-protein ligase XIAP/IRAK4 | 1 |
| 31312412 | 10.1021/acsmedchemlett.9b00219 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 31312412 | 10.1021/acsmedchemlett.9b00219 | Interleukin-1 receptor-associated kinase 1 | 1 |
| 31312412 | 10.1021/acsmedchemlett.9b00219 | No relevant target | 1 |
| 31312412 | 10.1021/acsmedchemlett.9b00219 | von Hippel-Lindau disease tumor suppressor/IRAK4 | 1 |
Data from ChEMBL 36 via Core Engine