Compound Detail
CHEMBL2179128
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Fc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccnc3[nH]c(-c4ccccc4)cc23)cc1
Basic Information
| ChEMBL ID | CHEMBL2179128 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZFUYVNWRUXRLD-UHFFFAOYSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
7.09
ALogP
2
HBA
2
HBD
57.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.99 | 6.335 | 102.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 14 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of p38alpha MAPK | 22951114 |
| Epidermal growth factor receptor | IC50 | = | 102.0 | nM | 6.99 | Inhibition of recombinant human GST-tagged EGFR L858R mutant cytoplasmic domain ... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 215.0 | nM | 6.67 | Inhibition of recombinant human GST-tagged wild type EGFR ( 668 to 1210 residues... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 1450.0 | nM | 5.84 | Inhibition of recombinant human GST-tagged EGFR L858R/T790M double mutant cytopl... | 28482151 |
| Epidermal growth factor receptor | IC50 | = | 1430.0 | nM | 5.84 | 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 |
| 22951114 | 10.1021/jm300852w | Mitogen-activated protein kinase 14 | 2 |
Data from ChEMBL 36 via Core Engine