Compound Detail
CHEMBL3361254
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Basic Information
| ChEMBL ID | CHEMBL3361254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZOLINZYKOLXAC-RBSFLKMASA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
2.62
ALogP
7
HBA
1
HBD
90.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.12
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | IC50 | 8.12 | 8.12 | 7.5 | 3 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 7.5 | nM | 8.12 | Inhibition of IRAK4 (unknown origin) | 30530193 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 7.5 | nM | 8.12 | Inhibition of IRAK4 (unknown origin) | 33481605 |
| Interleukin-1 receptor-associated kinase 4 | IC50 | = | 7.5 | nM | 8.12 | Inhibition of IRAK4 (unknown origin) by Kinase assay | 37402343 |
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 7.5 | nM | 8.12 | Inhibition of N-terminal GST-fused full-length human IRAK4 (1 to 460 amino acids... | 25479567 |
| Cyclin-dependent kinase 8 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of CDK8 in human A549 cells by mass spectrometric method | 28302507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25479567 | 10.1021/jm5016044 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 28302507 | 10.1016/j.bmc.2017.02.038 | Cyclin-dependent kinase 8 | 1 |
| 30530193 | 10.1016/j.ejmech.2018.11.072 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 33481605 | 10.1021/acs.jmedchem.0c01511 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 37402343 | 10.1016/j.ejmech.2023.115606 | Interleukin-1 receptor-associated kinase 4 | 1 |
Data from ChEMBL 36 via Core Engine