Compound Detail
CHEMBL3354190
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 | CHEMBL3354190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GUKYWSVRGDINLN-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
3.16
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.4
IC50 1 meas. best 5.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | Ki | 7.4 | 6.9325 | 40.0 | 4 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.65 | 5.65 | 2220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | Ki | = | 40.0 | nM | 7.4 | Inhibition of EGFR T790M/L858R mutant (unknown origin) by high-throughput bioche... | 25383627 |
| Epidermal growth factor receptor | Ki | = | 40.0 | nM | 7.4 | Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 ... | 26455919 |
| Epidermal growth factor receptor | Ki | = | 211.0 | nM | 6.68 | Inhibition of EGFR T790M/del746 to 750 mutant (unknown origin) by high-throughpu... | 25383627 |
| Epidermal growth factor receptor | Ki | = | 559.0 | nM | 6.25 | Inhibition of wild-type EGFR (unknown origin) by high-throughput biochemical scr... | 25383627 |
| Cyclin-dependent kinase 2 | IC50 | = | 2220.0 | nM | 5.65 | Inhibition of CDK2 (unknown origin) | 25383627 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25383627 | 10.1021/jm501578n | Epidermal growth factor receptor | 3 |
| 25383627 | 10.1021/jm501578n | Non-receptor tyrosine-protein kinase TYK2 | 3 |
| 25383627 | 10.1021/jm501578n | Unchecked | 2 |
| 25383627 | 10.1021/jm501578n | No relevant target | 2 |
| 25383627 | 10.1021/jm501578n | Aurora kinase B | 1 |
| 25383627 | 10.1021/jm501578n | Vascular endothelial growth factor receptor 2 | 1 |
| 25383627 | 10.1021/jm501578n | Cyclin-dependent kinase 2 | 1 |
| 25383627 | 10.1021/jm501578n | Tyrosine-protein kinase JAK2 | 1 |
| 25383627 | 10.1021/jm501578n | Mitogen-activated protein kinase kinase kinase kinase 4 | 1 |
| 25383627 | 10.1021/jm501578n | Misshapen-like kinase 1 | 1 |
| 25383627 | 10.1021/jm501578n | Maternal embryonic leucine zipper kinase | 1 |
| 25383627 | 10.1021/jm501578n | Serine/threonine-protein kinase 4 | 1 |
| 25383627 | 10.1021/jm501578n | Tyrosine-protein kinase receptor TYRO3 | 1 |
| 25383627 | 10.1021/jm501578n | Dual specificity protein kinase TTK | 1 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | Epidermal growth factor receptor | 1 |
| 26455919 | 10.1021/acs.jmedchem.5b01412 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine