Compound Detail
CHEMBL5567575
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 | CHEMBL5567575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRNQPLOTQBCINB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
3.48
ALogP
7
HBA
1
HBD
102.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.0 | 7.4533 | 1.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33.0 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 1.0 | nM | 9.0 | Inhibition of recombinant wildtype human N-terminal GST-tagged EGFR cytoplasmic ... | 38770784 |
| Epidermal growth factor receptor | IC50 | = | 190.0 | nM | 6.72 | Inhibition of EGFR D770_N771insSVD mutant (unknown origin) phosphorylation trans... | 38770784 |
| Epidermal growth factor receptor | IC50 | = | 230.0 | nM | 6.64 | Inhibition of wildtype EGFR (unknown origin) phosphorylation transfected in huma... | 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 | No relevant target | 1 |
| 38770784 | 10.1021/acs.jmedchem.4c00227 | ADMET | 1 |
| 38770784 | 10.1021/acs.jmedchem.4c00227 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine