Cediranib maleateProduct ingredient for Cediranib
- Name
- Cediranib maleate
- Drug Entry
- Cediranib
The novel indole-ether quinazoline Cediranib is a highly potent (IC50 < 1 nmol/L) ATP-competitive inhibitor of recombinant KDR tyrosine kinase in vitro. It is being developed clinically as a once-daily oral therapy for the treatment of cancer.
- Accession Number
- DBSALT002394
- Structure
Structure for Cediranib maleate (DBSALT002394)
- Synonyms
- Cediranib maleat
- UNII
- 68AYS9A614
- CAS Number
- 857036-77-2
- Weight
- Average: 566.586
Monoisotopic: 566.217677517 - Chemical Formula
- C29H31FN4O7
- InChI Key
- JRMGHBVACUJCRP-BTJKTKAUSA-N
- InChI
- InChI=1S/C25H27FN4O3.C4H4O4/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;5-3(6)1-2-4(7)8/h6-7,12-15,29H,3-5,8-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
- IUPAC Name
- (2Z)-but-2-enedioic acid; 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline
- SMILES
- OC(=O)\C=C/C(O)=O.COC1=CC2=C(C=C1OCCCN1CCCC1)N=CN=C2OC1=C(F)C2=C(NC(C)=C2)C=C1
- External Links
- ChemSpider
- 9401887
- ChEMBL
- CHEMBL2103798
- Wikipedia
- Cediranib
- Predicted Properties
Property Value Source Water Solubility 0.0155 mg/mL ALOGPS logP 3.77 ALOGPS logP 4.13 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 16.59 Chemaxon pKa (Strongest Basic) 9.14 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 72.5 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 125.16 m3·mol-1 Chemaxon Polarizability 48.68 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon