Compound Detail
CHEMBL3734786
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Basic Information
| ChEMBL ID | CHEMBL3734786 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXBQBMPZTKSXKA-HNNXBMFYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
3.06
ALogP
8
HBA
2
HBD
92.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.77
IC50 1 meas. best 5.98
Ki 1 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 8.02 | 8.02 | 9.5 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
| NCI-H1975 CHEMBL614348 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Ki | = | 9.5 | nM | 8.02 | Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 ... | 26455919 |
| Epidermal growth factor receptor | IC50 | = | 1040.0 | nM | 5.98 | Inhibition of EGFR phosphorylation in human NCI-H1975 cells preincubated for 1 h... | 26455919 |
| NCI-H1975 | EC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human NCI-H1975 cells expressing EGFR T790M/L... | 26455919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26455919 | 10.1021/acs.jmedchem.5b01412 | Epidermal growth factor receptor | 4 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | No relevant target | 1 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine