Compound Detail
CHEMBL5631951
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 | CHEMBL5631951 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGAPAJGJVGUQCH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
3.08
ALogP
9
HBA
1
HBD
108.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epidermal growth factor receptor CHEMBL203 | IC50 | 7.43 | 7.265 | 36.8 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 8.0 | hr | - |
| T1/2 | 8.0 | hr | - |
| T1/2 | 12.0 | hr | - |
| T1/2 | 2.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epidermal growth factor receptor | IC50 | = | 36.8 | nM | 7.43 | Inhibition of N-terminal GST-tagged recombinant human EGFR (668 to end residues)... | 37499291 |
| Epidermal growth factor receptor | IC50 | = | 79.3 | nM | 7.1 | Inhibition of N-terminal GST-tagged human EGFR cytoplasmic domain (669 to 1210 r... | 37499291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37499291 | 10.1016/j.ejmech.2023.115671 | No relevant target | 4 |
| 37499291 | 10.1016/j.ejmech.2023.115671 | Epidermal growth factor receptor | 3 |
| 37499291 | 10.1016/j.ejmech.2023.115671 | A-431 | 1 |
| 37499291 | 10.1016/j.ejmech.2023.115671 | HCC827 | 1 |
Data from ChEMBL 36 via Core Engine