Compound Detail
CHEMBL4111809
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
CC(=O)Nc1cccc(Nc2nc3cnc(Nc4ccc(C(=O)N[N+]5=CCN(C)CC5)cc4F)nc3n2C(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL4111809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLMAWOZNQRNGTC-UHFFFAOYSA-O |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
559.6
MW (Da)
3.67
ALogP
9
HBA
4
HBD
132.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.6 | 7.1433 | 25.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 25.0 | nM | 7.6 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 60.0 | nM | 7.22 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
| Epidermal growth factor receptor | IC50 | = | 245.0 | nM | 6.61 | Inhibition Assay: The object of this assay was to test the inventive compounds f... | - |
Data from ChEMBL 36 via Core Engine