Compound Detail
CHEMBL4794231
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Basic Information
| ChEMBL ID | CHEMBL4794231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUTRAIFRJXUIET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
494.4
MW (Da)
4.19
ALogP
8
HBA
2
HBD
104.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 3 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of GLK (unknown origin) by alphascreen assay | 29636220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29636220 | 10.1016/j.bmcl.2018.03.032 | Mitogen-activated protein kinase kinase kinase kinase 3 | 2 |
Data from ChEMBL 36 via Core Engine