Compound Detail
CHEMBL5641648
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 | CHEMBL5641648 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCDPWDQAWPACOP-SNAWJCMRSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.9
MW (Da)
6.02
ALogP
7
HBA
1
HBD
78.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.4 | 8.8 | 0.4 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 62.0 | 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 | = | 0.3981 | nM | 9.4 | Inhibition of wild type N-terminal GST-tagged EGFR (669 to 1210 residues) (unkno... | 38746885 |
| Epidermal growth factor receptor | IC50 | = | 6.31 | nM | 8.2 | Inhibition of EGFR phosphorylation in human NCI-H2073 cells incubated for 2 hrs ... | 38746885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38746885 | 10.1021/acsmedchemlett.3c00425 | Epidermal growth factor receptor | 2 |
| 38746885 | 10.1021/acsmedchemlett.3c00425 | No relevant target | 2 |
| 38746885 | 10.1021/acsmedchemlett.3c00425 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine