Compound Detail
CHEMBL3823738
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Basic Information
| ChEMBL ID | CHEMBL3823738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJJJFOLDERHCND-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
2.41
ALogP
7
HBA
2
HBD
107.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| TAK1/TAB1 CHEMBL3038499 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 7 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of GST-tagged TAK1 (unknown origin) expressed in sf9 cells coexpressi... | 27448772 |
| TAK1/TAB1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of recombinant human full-length His-tagged TAK1-TAB1 fusion protein ... | 33859795 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 35000.0 | nM | 4.46 | Inhibition of FLT3 (unknown origin) | 27448772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27448772 | 10.1016/j.bmc.2016.07.006 | Mitogen-activated protein kinase kinase kinase 7 | 2 |
| 27448772 | 10.1016/j.bmc.2016.07.006 | ADMET | 2 |
| 27448772 | 10.1016/j.bmc.2016.07.006 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 27448772 | 10.1016/j.bmc.2016.07.006 | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 27448772 | 10.1016/j.bmc.2016.07.006 | Phosphatidylinositol 4-phosphate 5-kinase type-1 gamma | 1 |
| 27448772 | 10.1016/j.bmc.2016.07.006 | Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma | 1 |
| 27448772 | 10.1016/j.bmc.2016.07.006 | SW982 | 1 |
| 33859795 | 10.1021/acsmedchemlett.0c00547 | TAK1/TAB1 | 1 |
Data from ChEMBL 36 via Core Engine