Compound Detail
CHEMBL4757082
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Basic Information
| ChEMBL ID | CHEMBL4757082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVAGTSXRUDWALM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
324.8
MW (Da)
4.35
ALogP
3
HBA
2
HBD
76.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | IC50 | 8.62 | 7.4033 | 2.4 | 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 | = | 2.4 | nM | 8.62 | Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 res... | 29570292 |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 93.0 | nM | 7.03 | Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 res... | 29570292 |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 273.0 | nM | 6.56 | Inhibition of MAP4K4 in human GripTite 293 MSR cells assessed as reduction in TR... | 29570292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29570292 | 10.1021/acs.jmedchem.8b00152 | Mitogen-activated protein kinase kinase kinase kinase 4 | 3 |
| 29570292 | 10.1021/acs.jmedchem.8b00152 | Cytochrome P450 3A4 | 1 |
| 29570292 | 10.1021/acs.jmedchem.8b00152 | ADMET | 1 |
| 29570292 | 10.1021/acs.jmedchem.8b00152 | Aurora kinase A | 1 |
| 29570292 | 10.1021/acs.jmedchem.8b00152 | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine