foretinib   

GtoPdb Ligand ID: 5679

Synonyms: EXEL-2880 | GSK 1363089G | GSK1363089 | XL 880
Compound class: Synthetic organic
Comment: Foretinib is a small molecule ATP-competitive inhibitor principally of the protein kinases c-Met (HGFR) and vascular endothelial growth factor receptor 2 (VEGFR2, aka KDR) [4].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 14
Topological polar surface area 111.25
Molecular weight 632.24
XLogP 4.55
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
Isomeric SMILES COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
InChI Key CXQHYVUVSFXTMY-UHFFFAOYSA-N

Large-scale screening data

DiscoveRx KINOMEscan® screen
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
http://www.discoverx.com/services/drug-discovery-development-services/kinase-profiling/kinomescan
Reference: 1,5

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
AXL receptor tyrosine kinase AXL Hs Inhibitor Inhibition 10.0 pKd
discoidin domain receptor tyrosine kinase 1 DDR1 Hs Inhibitor Inhibition 9.7 pKd
MER proto-oncogene, tyrosine kinase MERTK Hs Inhibitor Inhibition 9.6 pKd
homeodomain interacting protein kinase 4 HIPK4 Hs Inhibitor Inhibition 9.3 pKd
serine/threonine kinase 10 LOK Hs Inhibitor Inhibition 9.3 pKd
ret proto-oncogene RET(M918T) Hs Inhibitor Inhibition 9.2 pKd
ret proto-oncogene RET Hs Inhibitor Inhibition 9.1 pKd
tyrosine kinase with immunoglobulin like and EGF like domains 1 TIE1 Hs Inhibitor Inhibition 9.1 pKd
fms related receptor tyrosine kinase 3 FLT3(K663Q) Hs Inhibitor Inhibition 9.1 pKd
MET proto-oncogene, receptor tyrosine kinase MET(Y1235D) Hs Inhibitor Inhibition 9.1 pKd
Displaying the top 10 targets  View all targets in screen »