Compound Detail
CHEMBL4088971
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Basic Information
| ChEMBL ID | CHEMBL4088971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOGIWVYJWYLFOL-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.68
ALogP
3
HBA
3
HBD
77.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.61 | 6.7625 | 24.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 12.0 | nM | 7.92 | Inhibition of p38alpha MAPK (unknown origin) assessed as decrease in ATF2 phosph... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 24.4 | nM | 7.61 | Inhibition of recombinant human GST-tagged EGFR L858R mutant cytoplasmic domain ... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 44.0 | nM | 7.36 | Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 893.0 | nM | 6.05 | Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant cytopl... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 943.0 | nM | 6.03 | Inhibition of recombinant human N-terminally GST-tagged EGFR L858R/T790M/C797S t... | 28482151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28482151 | 10.1021/acs.jmedchem.7b00178 | Epidermal growth factor receptor | 4 |
| 28482151 | 10.1021/acs.jmedchem.7b00178 | Unchecked | 1 |
| 28482151 | 10.1021/acs.jmedchem.7b00178 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine