Compound Detail
CHEMBL3753371
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Basic Information
| ChEMBL ID | CHEMBL3753371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWGJZZDJPJNDKW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.8
MW (Da)
4.65
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | IC50 | 7.08 | 6.7033 | 83.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 84.0 | nM | 7.08 | Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP... | 26617966 |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 83.0 | nM | 7.08 | Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 res... | 29570292 |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 1121.0 | nM | 5.95 | Inhibition of MAP4K4 in human GripTite 293 MSR cells assessed as reduction in TR... | 29570292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26617966 | 10.1021/acsmedchemlett.5b00215 | Mitogen-activated protein kinase kinase kinase kinase 4 | 2 |
| 29570292 | 10.1021/acs.jmedchem.8b00152 | Mitogen-activated protein kinase kinase kinase kinase 4 | 2 |
| 26617966 | 10.1021/acsmedchemlett.5b00215 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine