Compound Detail
CHEMBL4759031
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 | CHEMBL4759031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRYOUAGILXESLL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.2
MW (Da)
3.89
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.98 | 7.93 | 10.4 | 2 |
| Unchecked CHEMBL612545 | IC50 | 7.35 | 7.35 | 44.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 709.27 | ng.hr.mL-1 | Mus musculus |
| AUC | 318.24 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 10.4 | nM | 7.98 | Inhibition of human recombinant EGFR expressed in baculovirus infected Sf9 insec... | 33062157 |
| Epidermal growth factor receptor | IC50 | = | 13.1 | nM | 7.88 | Inhibition of wild type EGFR in human U87 cells assessed as heparin/human EGF st... | 33062157 |
| Unchecked | IC50 | = | 44.8 | nM | 7.35 | Inhibition of EGFRvIII mutant in human U87 cells assessed as phosphorylation aft... | 33062157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062157 | 10.1021/acsmedchemlett.9b00599 | Unchecked | 5 |
| 33062157 | 10.1021/acsmedchemlett.9b00599 | ADMET | 4 |
| 33062157 | 10.1021/acsmedchemlett.9b00599 | Epidermal growth factor receptor | 2 |
Data from ChEMBL 36 via Core Engine