Compound Detail
CHEMBL5567954
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 | CHEMBL5567954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBFHHKASHGEKCJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
2.94
ALogP
8
HBA
1
HBD
100.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 8.0 | 6.92 | 10.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 105.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 0.9167 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 10.0 | nM | 8.0 | Inhibition of recombinant wildtype human N-terminal GST-tagged EGFR cytoplasmic ... | 38770784 |
| Epidermal growth factor receptor | IC50 | = | 92.0 | nM | 7.04 | Inhibition of 6His-tagged TEV-GS fused EGFR D770_N771insNPG mutant (G696 to G121... | 38770784 |
| Epidermal growth factor receptor | IC50 | = | 260.0 | nM | 6.58 | Inhibition of wildtype EGFR (unknown origin) phosphorylation transfected in huma... | 38770784 |
| Epidermal growth factor receptor | IC50 | = | 870.0 | nM | 6.06 | Inhibition of EGFR D770_N771insSVD mutant (unknown origin) phosphorylation trans... | 38770784 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38770784 | 10.1021/acs.jmedchem.4c00227 | Epidermal growth factor receptor | 8 |
| 38770784 | 10.1021/acs.jmedchem.4c00227 | Unchecked | 2 |
| 38770784 | 10.1021/acs.jmedchem.4c00227 | ADMET | 2 |
| 38770784 | 10.1021/acs.jmedchem.4c00227 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine