1CX

(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide



Chemical Component Summary

Name(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
Identifiers4,5-difluoro-6-(2-fluoro-4-iodo-phenyl)imino-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
FormulaC15 H12 F3 I N2 O3
Molecular Weight452.167
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1I)F)N=C2C(C(=CC=C2C(=O)NOCCO)F)F
InChIInChI=1S/C15H12F3IN2O3/c16-10-3-2-9(15(23)21-24-6-5-22)14(13(10)18)20-12-4-1-8(19)7-11(12)17/h1-4,7,13,22H,5-6H2,(H,21,23)/b20-14-/t13-/m1/s1
InChIKeyBDLJJGJCIWWATJ-OOHURIHSSA-N

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count1
Bond Count37
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB06892 
Name(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide
Groups experimental
Synonyms(5S)-4,5-difluoro-6-[(2-fluoro-4-iodophenyl)imino]-N-(2-hydroxyethoxy)cyclohexa-1,3-diene-1-carboxamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Dual specificity mitogen-activated protein kinase kinase 1MPKKKPTPIQLNPAPDGSAVNGTSSAETNLEALQKKLEELELDEQQRKRL...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682