ML2

N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide

Created:	2007-10-29
Last modified:	2011-06-04

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4 entries where ML2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	10

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Chemical Component Summary
Name	N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Systematic Name (OpenEye OEToolkits)	N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]ethanamide
Formula	C₁₃ H₁₅ I N₂ O₂
Molecular Weight	358.175
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NCCc2c1cc(OC)ccc1nc2I)C
SMILES	CACTVS	3.341	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC
Canonical SMILES	CACTVS	3.341	COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)NCCc1c2cc(ccc2[nH]c1I)OC
InChI	InChI	1.03	InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKey	InChI	1.03	FJDDSMSDZHURBJ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08190
Name	N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Groups	experimental
Synonyms	N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Ribosyldihydronicotinamide dehydrogenase [quinone]	MAGKKVLIVYAHQEPKSFNGSLKNVAVDELSRQGCTVTVSDLYAMNLEPR...	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