Compound Detail
CHEMBL245212
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Basic Information
| ChEMBL ID | CHEMBL245212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRPUCYCKBBWGEO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
410.8
MW (Da)
5.12
ALogP
5
HBA
3
HBD
89.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 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 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| cAMP-dependent protein kinase (PKA) CHEMBL2094138 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
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 |
| Epidermal growth factor receptor | IC50 | = | 500.0 | nM | 6.3 | Inhibition of P-EGFR expressed in A431 cells | 17715908 |
| cAMP-dependent protein kinase (PKA) | IC50 | = | 10300.0 | nM | 4.99 | Inhibition of PKA | 17715908 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Src | 17715908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 | Cytochrome P450 3A4 | 1 |
Data from ChEMBL 36 via Core Engine