Compound Detail
CHEMBL3822938
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Basic Information
| ChEMBL ID | CHEMBL3822938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTPGOBLNEBRILY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
5.01
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 CHEMBL5014 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-interacting serine/threonine-protein kinase 2 | IC50 | = | 8.0 | nM | 8.1 | Competitive inhibition of full length FLAG-His-tagged RIP2K (unknown origin) exp... | 27109867 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of VEGFR2(unknown origin) | 27109867 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1080.0 | nM | 5.97 | Inhibition of p38alpha (unknown origin) | 27109867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27109867 | 10.1021/acs.jmedchem.6b00211 | Receptor-interacting serine/threonine-protein kinase 2 | 1 |
| 27109867 | 10.1021/acs.jmedchem.6b00211 | Mitogen-activated protein kinase 14 | 1 |
| 27109867 | 10.1021/acs.jmedchem.6b00211 | Vascular endothelial growth factor receptor 2 | 1 |
| 27109867 | 10.1021/acs.jmedchem.6b00211 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine