Compound Detail
CHEMBL213762
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 | CHEMBL213762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFEJJQZWMZTARJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
485.0
MW (Da)
5.26
ALogP
8
HBA
1
HBD
78.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.15 | 7.575 | 7.0 | 2 |
| A549 CHEMBL392 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 600.0 | ng.hr.mL-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 7.0 | nM | 8.15 | Inhibition of human c-Src in NIH3T3 cells | 17064066 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 100.0 | nM | 7.0 | Antiproliferative activity against mouse NIH3T3 cell line transfected with c-SRC | 17064066 |
| A549 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of A549 cell migration by microdroplet migration assay | 17064066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064066 | 10.1021/jm060434q | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 17064066 | 10.1021/jm060434q | Vascular endothelial growth factor receptor 2 | 1 |
| 17064066 | 10.1021/jm060434q | A549 | 1 |
| 17064066 | 10.1021/jm060434q | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine