Compound Detail
CHEMBL247468
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 | CHEMBL247468 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMZTWOCJNVKCBW-UHFFFAOYSA-N |
9
Targets
10
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
4.35
ALogP
8
HBA
2
HBD
78.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck CHEMBL258 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Activated CDC42 kinase 1 CHEMBL4599 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| T-cell CHEMBL614309 | IC50 | 6.64 | 6.505 | 227.0 | 2 |
| Epidermal growth factor receptor CHEMBL203 | IC50 | 6.4 | 6.4 | 397.0 | 1 |
| Tyrosine-protein kinase JAK3 CHEMBL2148 | IC50 | 6.02 | 6.02 | 960.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 6.0 | 6.0 | 992.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.51 | 5.51 | 3096.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3146.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Lck | IC50 | = | 9.0 | nM | 8.05 | Inhibition of Lck | 17280833 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 45.0 | nM | 7.35 | Inhibition of Src | 17280833 |
| Activated CDC42 kinase 1 | IC50 | = | 98.0 | nM | 7.01 | Inhibition of Ack1 | 17280833 |
| T-cell | IC50 | = | 227.0 | nM | 6.64 | Inhibition of T cell activation in human mixed lymphocyte reaction | 17280833 |
| Epidermal growth factor receptor | IC50 | = | 397.0 | nM | 6.4 | Inhibition of EGFR | 17280833 |
| T-cell | IC50 | = | 430.0 | nM | 6.37 | Inhibition of anti-CD3/CD28-induced IL2 secretion in human T cells | 17280833 |
| Tyrosine-protein kinase JAK3 | IC50 | = | 960.0 | nM | 6.02 | Inhibition of Jak3 | 17280833 |
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 992.0 | nM | 6.0 | Inhibition of ZAP70 | 17280833 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 3096.0 | nM | 5.51 | Inhibition of KDR | 17280833 |
| Unchecked | IC50 | = | 3146.0 | nM | 5.5 | Inhibition of IGFR | 17280833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17280833 | 10.1016/j.bmcl.2007.01.057 | T-cell | 2 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Activated CDC42 kinase 1 | 1 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Tyrosine-protein kinase Lck | 1 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Epidermal growth factor receptor | 1 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Tyrosine-protein kinase JAK3 | 1 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Tyrosine-protein kinase ZAP-70 | 1 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Vascular endothelial growth factor receptor 2 | 1 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Unchecked | 1 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Tyrosine-protein kinase JAK2 | 1 |
| 17280833 | 10.1016/j.bmcl.2007.01.057 | Angiopoietin-1 receptor | 1 |
Data from ChEMBL 36 via Core Engine