IMM

1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID

Created:	1999-07-08
Last modified:	2011-06-04

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2 entries where IMM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	16

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Chemical Component Summary
Name	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID
Systematic Name (OpenEye OEToolkits)	2-[1-(4-iodophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]ethanoic acid
Formula	C₁₉ H₁₆ I N O₄
Molecular Weight	449.239
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Ic1ccc(cc1)C(=O)n3c2ccc(OC)cc2c(c3C)CC(=O)O
SMILES	CACTVS	3.341	COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(I)cc3
SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O
Canonical SMILES	CACTVS	3.341	COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(I)cc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)I)OC)CC(=O)O
InChI	InChI	1.03	InChI=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)
InChIKey	InChI	1.03	CXBFZYKAVCAPSV-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07983
Name	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID
Groups	experimental
Synonyms	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-3-ACETIC ACID

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Prostaglandin G/H synthase 1	MSRSLLLWFLLFLLLLPPLPVLLADPGAPTPVNPCCYYPCQHQGICVRFG...	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