Compound Detail
CHEMBL523122
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 | CHEMBL523122 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXVOZEZXKFLOOY-HNNXBMFYSA-N |
3
Targets
3
Activities
1
Assay Types
11
PK Parameters
10
Publications
0
Known Names
Molecular Properties
485.9
MW (Da)
3.47
ALogP
9
HBA
3
HBD
115.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.05 | 7.05 | 89.0 | 1 |
| A-431 CHEMBL614069 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 5.15 | 5.15 | 7130.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2400.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1240.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 2010.0 | nM | Rattus norvegicus |
| Cmax | 120.0 | nM | Rattus norvegicus |
| Cmax | 400000.0 | nM | Rattus norvegicus |
| F | 20.4 | % | Rattus norvegicus |
| T1/2 | 6.1 | hr | Rattus norvegicus |
| T1/2 | 5.4 | hr | Rattus norvegicus |
| Tmax | 0.08 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 89.0 | nM | 7.05 | Inhibition of Src kinase | 19321350 |
| A-431 | IC50 | = | 780.0 | nM | 6.11 | Inhibition of EGF-stimulated tyrosine phosphorylation in human A431 cells | 19321350 |
| Epidermal growth factor receptor | IC50 | = | 7130.0 | nM | 5.15 | Inhibition of EGFR | 19321350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19321350 | 10.1016/j.bmc.2009.02.054 | Rattus norvegicus | 11 |
| 19321350 | 10.1016/j.bmc.2009.02.054 | Unchecked | 6 |
| 19321350 | 10.1016/j.bmc.2009.02.054 | Ribosomal protein S6 kinase alpha-1 | 4 |
| 19321350 | 10.1016/j.bmc.2009.02.054 | A-431 | 2 |
| 19321350 | 10.1016/j.bmc.2009.02.054 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 19321350 | 10.1016/j.bmc.2009.02.054 | Epidermal growth factor receptor | 1 |
| 19321350 | 10.1016/j.bmc.2009.02.054 | Vascular endothelial growth factor receptor 2 | 1 |
| 19321350 | 10.1016/j.bmc.2009.02.054 | PC-3 | 1 |
| 19321350 | 10.1016/j.bmc.2009.02.054 | SK-BR-3 | 1 |
| 19321350 | 10.1016/j.bmc.2009.02.054 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine