cediranib   

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.
2D Structure
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Physico-chemical Properties
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
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
Classification
Compound class Synthetic organic
IUPAC Name
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline
International Nonproprietary Names
INN number INN
8764 cediranib
Synonyms
AZD 2171 | AZD2171 | ZD 2171
Database Links
CAS Registry No. 288383-20-0
ChEMBL Ligand CHEMBL491473
GtoPdb PubChem SID 178102292
PubChem CID 9933475
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Wikipedia Cediranib