Compound Detail
CHEMBL4078182
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Basic Information
| ChEMBL ID | CHEMBL4078182 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVUPEWVGGKZLBK-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
484.8
MW (Da)
6.60
ALogP
4
HBA
3
HBD
61.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.69 | 7.54 | 20.6 | 2 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 2 CHEMBL4204 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 20.6 | nM | 7.69 | Inhibition of human recombinant N-terminal GST-tagged EGFR (668 to 1210 residues... | 28291344 |
| Epidermal growth factor receptor | IC50 | = | 41.0 | nM | 7.39 | Inhibition of human recombinant GST-tagged EGFR (668 to 1210 residues) cytoplasm... | 28291344 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of human recombinant full length His-tagged PIM-1 expressed in baculo... | 28291344 |
| Unchecked | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of TNFalpha-stimulated NF-kappaB (unknown origin) expressed in human ... | 28291344 |
| MAP kinase-interacting serine/threonine-protein kinase 2 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of human full length N-terminal GST-tagged MNK2 expressed in baculovi... | 28291344 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28291344 | 10.1021/acs.jmedchem.6b01774 | Unchecked | 7 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | Transcription factor p65 | 5 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | Epidermal growth factor receptor | 3 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | MAP kinase-interacting serine/threonine-protein kinase 2 | 2 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | MDA-MB-231 | 1 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | A549 | 1 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | CHO-K1 | 1 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | HUVEC | 1 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | Serine/threonine-protein kinase pim-1 | 1 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | Receptor tyrosine-protein kinase erbB-4 | 1 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | Proteasome component C5 | 1 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | Proteasome Macropain subunit | 1 |
| 28291344 | 10.1021/acs.jmedchem.6b01774 | Proteasome Macropain subunit MB1 | 1 |
Data from ChEMBL 36 via Core Engine