1.0 2016-05-25 18:26:27 UTC 2026-08-21 22:32:34 UTC Sunitinib SmallMolecule Sunitinib is an organic compound with the formula C22H27FN4O2 and an average molecular weight of 398.47 g/mol. Sunitinib belongs to the indolines, a subclass of indoles and derivatives within the organic compounds. This compound is recorded as being found in or released from seven sources, including antineoplastic agents within healthcare, pharmaceuticals and veterinary products; preparation of malt within food, food processing and cookware; non electric simulated smoking devices and pipe accessories within household cleaning and consumer products; and antennas, electric hearing aids and line transmission systems within electrical and electronic equipment. The recorded exposure route for this substance is oral. At the molecular level, sunitinib acts as an inhibitor for nine protein targets, including vascular endothelial growth factor receptor 1 (FLT1), vascular endothelial growth factor receptor 2 (KDR), vascular endothelial growth factor receptor 3 (FLT4), and platelet-derived growth factor receptor beta (PDGFRB), as well as five other proteins. In clinical applications, sunitinib is used as a treatment for cancer (PMC12022389, PMC12663558), renal cell carcinoma (PMC10173257), and diabetic retinopathy (PMC4949763). Additionally, it has a therapeutic effect on angiosarcoma (PMC5102718). The use of this compound is associated with rash (PMC13084601). Human Neurotoxin C22H27FN4O2 398.4738 398.211804333 N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide sunitinib 557795-19-4 CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- WINHZLLDWRZWRT-ATVHPVEESA-N Organic compounds Organoheterocyclic compounds Indoles and derivatives Indolines Indolines Amino acids and derivatives Aryl fluorides Azacyclic compounds Benzenoids Carbonyl compounds Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organofluorides Organopnictogen compounds Pyrrole carboxamides Secondary carboxylic acid amides Substituted pyrroles Trialkylamines Vinylogous amides Amine Amino acid or derivatives Aromatic heteropolycyclic compound Aryl fluoride Aryl halide Azacycle Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Dihydroindole Heteroaromatic compound Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organofluoride Organohalogen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Pyrrole-3-carboxamide Pyrrole-3-carboxylic acid or derivatives Secondary carboxylic acid amide Substituted pyrrole Tertiary aliphatic amine Tertiary amine Vinylogous amide Aromatic heteropolycyclic compounds monocarboxylic acid amide pyrroles Detected and Not Quantified Sunitinib Action Pathway SMP0126868 Sunitinib Drug Metabolism Action Pathway SMP0143683 logp 2.93 logp 3.24 ALOGPS logs -4.11 ALOGPS solubility 3.08e-02 g/l ALOGPS logp 2.93 ChemAxon pka_strongest_acidic 11.46 ChemAxon pka_strongest_basic 9.04 ChemAxon iupac N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide ChemAxon average_mass 398.4738 ChemAxon mono_mass 398.211804333 ChemAxon smiles CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=C2C=C(F)C=C3)=C1C ChemAxon formula C22H27FN4O2 ChemAxon inchi InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- ChemAxon inchikey WINHZLLDWRZWRT-ATVHPVEESA-N ChemAxon polar_surface_area 77.23 ChemAxon refractivity 116.27 ChemAxon polarizability 44.32 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7227c7baf0> DB01268 5329102 4486264 BE0000205 BE0000029 BE0000369 BE0000023 BE0000453 BE0000147 BE0000853 BE0000852 BE0000915