Compound Detail
CHEMBL2407759
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Basic Information
| ChEMBL ID | CHEMBL2407759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDCWLOMVUOZXFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
4.13
ALogP
9
HBA
1
HBD
116.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| TAK1/TAB1 CHEMBL3038499 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| TAK1/TAB1 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of truncated TAK1-TAB1(unknown origin) using MKK7 as substrate by ALP... | 23850198 |
| Mitogen-activated protein kinase kinase kinase 7 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of TAK1 in human HCT116 cells assessed as inhibition of TNF-alpha-sti... | 23850198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23850198 | 10.1016/j.bmcl.2013.06.053 | Liver | 1 |
| 23850198 | 10.1016/j.bmcl.2013.06.053 | Liver microsomes | 1 |
| 23850198 | 10.1016/j.bmcl.2013.06.053 | Mitogen-activated protein kinase kinase kinase 7 | 1 |
| 23850198 | 10.1016/j.bmcl.2013.06.053 | TAK1/TAB1 | 1 |
Data from ChEMBL 36 via Core Engine