Compound Detail
CHEMBL4790042
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Basic Information
| ChEMBL ID | CHEMBL4790042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXTYOXROXYEMIK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.8
MW (Da)
3.83
ALogP
5
HBA
2
HBD
93.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 4 CHEMBL6166 | IC50 | 8.4 | 6.835 | 4.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.0 | mL.min-1.g-1 | Homo sapiens |
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 | = | 4.0 | nM | 8.4 | Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 res... | 29570292 |
| Mitogen-activated protein kinase kinase kinase kinase 4 | IC50 | = | 5388.0 | nM | 5.27 | 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 | 2 |
| 29570292 | 10.1021/acs.jmedchem.8b00152 | ADMET | 2 |
| 29570292 | 10.1021/acs.jmedchem.8b00152 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine