Compound Detail
CHEMBL4761177
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Basic Information
| ChEMBL ID | CHEMBL4761177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOUGNLUUPLSUAG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
4.21
ALogP
6
HBA
2
HBD
73.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase kinase 3 CHEMBL5432 | IC50 | 7.11 | 6.85 | 77.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 44.7 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 28.4 | mL.min-1.kg-1 | Rattus norvegicus |
| Fu | 0.18 | - | Rattus norvegicus |
| T1/2 | 1.9 | hr | Rattus norvegicus |
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 | = | 77.0 | nM | 7.11 | Inhibition of GLK (unknown origin) by alphascreen assay | 29636220 |
| Mitogen-activated protein kinase kinase kinase kinase 3 | IC50 | = | 258.0 | nM | 6.59 | Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfecte... | 29636220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29636220 | 10.1016/j.bmcl.2018.03.032 | ADMET | 6 |
| 29636220 | 10.1016/j.bmcl.2018.03.032 | Mitogen-activated protein kinase kinase kinase kinase 3 | 3 |
Data from ChEMBL 36 via Core Engine