Compound Detail
CHEMBL425834
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Basic Information
| ChEMBL ID | CHEMBL425834 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUCXDAGQSXXFMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
5
PK Parameters
14
Publications
0
Known Names
Molecular Properties
557.9
MW (Da)
5.56
ALogP
8
HBA
2
HBD
94.7
PSA (Ų)
0.28
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 CHEMBL4899 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| CaM kinase II CHEMBL2097164 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | - | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| t1/2 | - | - | Rattus norvegicus |
| T1/2 | 2.6 | hr | Rattus norvegicus |
| Vss | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 8 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Tpl2 by ELISA | 17715908 |
| CaM kinase II | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of CAMK2 | 17715908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17715908 | 10.1021/jm070436q | Rattus norvegicus | 6 |
| 17715908 | 10.1021/jm070436q | Mitogen-activated protein kinase kinase kinase 8 | 1 |
| 17715908 | 10.1021/jm070436q | Epidermal growth factor receptor | 1 |
| 17715908 | 10.1021/jm070436q | Monocyte | 1 |
| 17715908 | 10.1021/jm070436q | Blood | 1 |
| 17715908 | 10.1021/jm070436q | Mitogen-activated protein kinase 14 | 1 |
| 17715908 | 10.1021/jm070436q | CaM kinase II | 1 |
| 17715908 | 10.1021/jm070436q | Protein kinase C alpha type | 1 |
| 17715908 | 10.1021/jm070436q | cAMP-dependent protein kinase (PKA) | 1 |
| 17715908 | 10.1021/jm070436q | MAP kinase-activated protein kinase 2 | 1 |
| 17715908 | 10.1021/jm070436q | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 17715908 | 10.1021/jm070436q | Ribosomal protein S6 kinase beta-1 | 1 |
| 17715908 | 10.1021/jm070436q | Mitogen-activated protein kinase 8 | 1 |
| 17715908 | 10.1021/jm070436q | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine