Compound Detail
CHEMBL5266649
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#Cc1cccc(Nc2ncnc3cc(O[C@H]4CCOC4)c(OC4CCN(C(=O)C=C)CC4)cc23)c1
Basic Information
| ChEMBL ID | CHEMBL5266649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARVUSMHRGNDTRY-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
4.08
ALogP
7
HBA
1
HBD
85.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.78 | 8.78 | 1.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.67 | nM | 8.78 | Inhibition of EGFR D770-N771 ins NPG mutant (unknown origin) | 36804726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36804726 | 10.1016/j.bmc.2023.117202 | Epidermal growth factor receptor | 3 |
Data from ChEMBL 36 via Core Engine