Compound Detail
CHEMBL3735952
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3735952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOVOJNOXHDWRNB-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.11
ALogP
7
HBA
2
HBD
91.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.48
EC50 1 meas. best 5.16
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 6.48 | 6.2 | 329.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.06 | 6.06 | 880.0 | 1 |
| NCI-H1975 CHEMBL614348 | EC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Ki | = | 329.0 | nM | 6.48 | Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 ... | 26455919 |
| Epidermal growth factor receptor | IC50 | = | 880.0 | nM | 6.06 | Inhibition of EGFR phosphorylation in human NCI-H1975 cells preincubated for 1 h... | 26455919 |
| Epidermal growth factor receptor | Ki | = | 1200.0 | nM | 5.92 | Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate pre... | 26455919 |
| NCI-H1975 | EC50 | = | 7000.0 | nM | 5.16 | 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 | 3 |
| 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