Compound Detail
CHEMBL4101719
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Basic Information
| ChEMBL ID | CHEMBL4101719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLKIWJNLTMGQET-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
412.5
MW (Da)
5.35
ALogP
3
HBA
3
HBD
77.6
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.19 | 7.85 | 6.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of p38alpha MAPK (unknown origin) assessed as decrease in ATF2 phosph... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 6.47 | nM | 8.19 | Inhibition of EGFR L858R/T790M double mutant (unknown origin) | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 21.1 | nM | 7.68 | Inhibition of recombinant human N-terminally GST-tagged EGFR L858R/T790M/C797S t... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 21.0 | nM | 7.68 | Inhibition of EGFR L858R/T790M/C797S triple mutant (unknown origin) | 34323489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28482151 | 10.1021/acs.jmedchem.7b00178 | Epidermal growth factor receptor | 4 |
| 34323489 | 10.1021/acs.jmedchem.1c00876 | Epidermal growth factor receptor | 2 |
| 28482151 | 10.1021/acs.jmedchem.7b00178 | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine