cediranib   Click here for help

GtoPdb Ligand ID: 5664

Synonyms: AZD 2171 | AZD2171 | ZD 2171
Compound class: Synthetic organic
Comment: Cediranib is a highly potent VEGFR2 (KDR) inhibitor [2]. This compound was in the AstraZeneca/NCATS repurposing list from 2012.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 72.5
Molecular weight 450.21
XLogP 4.12
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C
Isomeric SMILES COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C
InChI InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
InChI Key XXJWYDDUDKYVKI-UHFFFAOYSA-N

Large-scale screening data

DiscoveRx KINOMEscan® screen Click here for help
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: 1,3

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
KIT proto-oncogene, receptor tyrosine kinase KIT(V559D) Hs Inhibitor Inhibition 9.6 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT(V559D,V654A) Hs Inhibitor Inhibition 9.5 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT(V559D,T670I) Hs Inhibitor Inhibition 9.5 pKd
platelet derived growth factor receptor beta PDGFRB Hs Inhibitor Inhibition 9.5 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT Hs Inhibitor Inhibition 9.4 pKd
platelet derived growth factor receptor alpha PDGFRA Hs Inhibitor Inhibition 9.4 pKd
KIT proto-oncogene, receptor tyrosine kinase KIT(L576P) Hs Inhibitor Inhibition 9.3 pKd
fms related receptor tyrosine kinase 1 FLT1 Hs Inhibitor Inhibition 9.1 pKd
kinase insert domain receptor VEGFR2 Hs Inhibitor Inhibition 9.0 pKd
discoidin domain receptor tyrosine kinase 1 DDR1 Hs Inhibitor Inhibition 8.8 pKd
Displaying the top 10 targets  View all targets in screen »