Chemical Component Summary

Name1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID
Identifiers2-[1-(4-iodophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid
FormulaC19 H16 I N O4
Molecular Weight449.239
TypeNON-POLYMER
Isomeric SMILESCc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O
InChIInChI=1S/C19H16INO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyCXBFZYKAVCAPSV-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count43
Aromatic Bond Count16

Drug Info: DrugBank

DrugBank IDDB07983 
Name1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID
Groups experimental
Synonyms1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
Prostaglandin G/H synthase 1MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...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

Related Resource References

Resource NameReference
PubChem 447835
ChEMBL CHEMBL590284
CCDC/CSD HIFYIE
COD 2004499