Compound Detail
CHEMBL3969384
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Basic Information
| ChEMBL ID | CHEMBL3969384 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFTLSWHJVMUFGV-SNAWJCMRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
312.3
MW (Da)
2.17
ALogP
4
HBA
2
HBD
93.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| TAK1/TAB1 CHEMBL3038499 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 CHEMBL5605 | IC50 | 7.29 | 7.29 | 51.0 | 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 | = | 43.0 | nM | 7.37 | Inhibition of TAK1 in human A549 cells assessed as decrease in recombinant human... | - |
| TAK1/TAB1 | IC50 | = | 51.0 | nM | 7.29 | Inhibition of kinase tracer-236 binding to full length recombinant human His-tag... | - |
| TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 | IC50 | = | 51.0 | nM | 7.29 | Biological Assay: TAK1-TAB1 Binding Inhibitory Potency: The ability of candidate... | - |
Data from ChEMBL 36 via Core Engine