Compound Detail
CHEMBL3608434
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Basic Information
| ChEMBL ID | CHEMBL3608434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSPIKBBNOVUACC-VXGBXAGGSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
1.16
ALogP
10
HBA
2
HBD
115.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.0 | 8.17 | 1.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of EGFR deletion/T790M mutant in human PC9-DRH cells assessed as inhi... | 26191356 |
| Epidermal growth factor receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibition of EGFR L858R mutant in human H3255 cells assessed as inhibition of p... | 26191356 |
| Epidermal growth factor receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of EGFR L858R/T790M double mutant in human H1975 cells assessed as in... | 26191356 |
| Epidermal growth factor receptor | IC50 | = | 6.0 | nM | 8.22 | Inhibition of EGFR E746-A750 deletion mutant in human PC9 cells assessed as inhi... | 26191356 |
| Epidermal growth factor receptor | IC50 | = | 194.0 | nM | 6.71 | Inhibition of wild type EGFR in human A549 cells assessed as inhibition of phosp... | 26191356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26191356 | 10.1021/acsmedchemlett.5b00231 | Epidermal growth factor receptor | 5 |
Data from ChEMBL 36 via Core Engine