Compound Detail
CHEMBL5279491
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
C#Cc1cnc(Nc2cc(NC(=O)C=C)c(N(C)CCN(C)C)cc2OC)nc1-c1cn2c3c(cccc13)CCC2
Basic Information
| ChEMBL ID | CHEMBL5279491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UVAQIYRGODMQEF-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
549.7
MW (Da)
4.90
ALogP
8
HBA
2
HBD
87.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.01 | 7.805 | 9.8 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.8 | nM | 8.01 | Inhibition of mouse EGFR D770_N771insNPG mutant stably expressed in mouse BaF3 c... | 36423823 |
| Unchecked | IC50 | = | 25.0 | nM | 7.6 | Inhibition of mouse EGFR V769_D770insASV mutant stably expressed in mouse BaF3 c... | 36423823 |
| Epidermal growth factor receptor | IC50 | = | 42.0 | nM | 7.38 | Inhibition of EGR-induced EGFR phosphorylation in human A549 cells pretreated fo... | 36423823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36423823 | 10.1016/j.bmcl.2022.129084 | Unchecked | 2 |
| 36423823 | 10.1016/j.bmcl.2022.129084 | Epidermal growth factor receptor | 1 |
Data from ChEMBL 36 via Core Engine