00G

5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole

Created:	2009-01-20
Last modified:	2011-06-04

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Chemical Details
Formal Charge	0
Atom Count	31
Chiral Atom Count	0
Bond Count	33
Aromatic Bond Count	15

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Chemical Component Summary
Name	5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
Systematic Name (OpenEye OEToolkits)	5-(2-pyrrol-1-ylethoxy)-1H-indole
Formula	C₁₄ H₁₄ N₂ O
Molecular Weight	226.274
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O(c1cc2c(cc1)ncc2)CCn3cccc3
SMILES	CACTVS	3.341	C(Cn1cccc1)Oc2ccc3[nH]ccc3c2
SMILES	OpenEye OEToolkits	1.5.0	c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3
Canonical SMILES	CACTVS	3.341	C(Cn1cccc1)Oc2ccc3[nH]ccc3c2
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccn(c1)CCOc2ccc3c(c2)cc[nH]3
InChI	InChI	1.03	InChI=1S/C14H14N2O/c1-2-8-16(7-1)9-10-17-13-3-4-14-12(11-13)5-6-15-14/h1-8,11,15H,9-10H2
InChIKey	InChI	1.03	NSZDJRLPCLOQAM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB06828
Name	5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole
Groups	experimental
Synonyms	5-[2-(1H-pyrrol-1-yl)ethoxy]-1H-indole

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Leukotriene A-4 hydrolase	MPEIVDTCSLASPASVCRTKHLHLRCSVDFTRRTLTGTAALTVQSQEDNL...	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