Compound Detail
CHEMBL5646414
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Basic Information
| ChEMBL ID | CHEMBL5646414 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNIAIWPDMCWIIB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.9
MW (Da)
6.79
ALogP
6
HBA
1
HBD
69.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 9.3 | 8.75 | 0.5 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 101.0 | mL.min-1.g-1 | Homo sapiens |
| T1/2 | 166.65 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 0.5012 | nM | 9.3 | 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 | ADMET | 3 |
| 38746885 | 10.1021/acsmedchemlett.3c00425 | Epidermal growth factor receptor | 2 |
| 38746885 | 10.1021/acsmedchemlett.3c00425 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine