Compound Detail
CHEMBL4744403
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Basic Information
| ChEMBL ID | CHEMBL4744403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQBRQRVXPUQKLG-HDICACEKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
2.74
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 3 CHEMBL5081 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Cyclin-C/Cyclin-dependent kinase 19 CHEMBL3883323 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
| Interleukin-1 receptor-associated kinase 1 CHEMBL3357 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Interleukin-1 receptor-associated kinase 3 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of kinase tracer 236 binding to recombinant human full-length GST-tag... | 32803978 |
| Cyclin-C/Cyclin-dependent kinase 19 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of CDK11/cyclin C (unknown origin) | 32803978 |
| Serine/threonine-protein kinase haspin | IC50 | = | 150.0 | nM | 6.82 | Inhibition of GSG2 (unknown origin) | 32803978 |
| Interleukin-1 receptor-associated kinase 1 | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of recombinant human N-terminal GST-tagged IRAK1 (194 to 712 residues... | 32803978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Unchecked | 4 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Interleukin-1 receptor-associated kinase 3 | 2 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Serine/threonine-protein kinase haspin | 2 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Cyclin-C/Cyclin-dependent kinase 19 | 2 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Interleukin-1 receptor-associated kinase 1 | 1 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | ADMET | 1 |
| 32803978 | 10.1021/acs.jmedchem.0c01125 | CDK8/Cyclin C | 1 |
Data from ChEMBL 36 via Core Engine