Compound Detail
CHEMBL211662
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
c1ccc(Oc2ccc3n[nH]c(-c4nc5cc(N6CCC(N7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1
Basic Information
| ChEMBL ID | CHEMBL211662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFUZEFVLUHADNS-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
6.35
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.1
EC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| HMEC CHEMBL614734 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-derived growth factor receptor beta | IC50 | = | 8.0 | nM | 8.1 | Inhibition of PDGFRbeta | 16603352 |
| Fibroblast growth factor receptor 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of FGFR1 | 16603352 |
| Vascular endothelial growth factor receptor 1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of VEGFR1 | 16603352 |
| Tyrosine-protein kinase ABL1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of c-ABL | 16678414 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 44.0 | nM | 7.36 | Inhibition of VEGFR2 | 16603352 |
| HMEC | EC50 | = | 80.0 | nM | 7.1 | Inhibition of VEGF-mediated proliferation of HMVEC | 16603352 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16678414 | 10.1016/j.bmcl.2006.04.043 | Tyrosine-protein kinase ABL1 | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | HMEC | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | Fibroblast growth factor receptor 1 | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | Platelet-derived growth factor receptor beta | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | Vascular endothelial growth factor receptor 1 | 1 |
| 16603352 | 10.1016/j.bmcl.2006.03.069 | Vascular endothelial growth factor receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine