D55

4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide

Created:	2007-12-05
Last modified:	2011-06-04

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1 entries where D55 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	12

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Chemical Component Summary
Name	4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
Systematic Name (OpenEye OEToolkits)	4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethyl-benzamide
Formula	C₂₁ H₂₈ N₂ O₄
Molecular Weight	372.458
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c1cc(c(OCCN)c(c1)C)C)Nc2cc(OCC)ccc2OCC
SMILES	CACTVS	3.341	CCOc1ccc(OCC)c(NC(=O)c2cc(C)c(OCCN)c(C)c2)c1
SMILES	OpenEye OEToolkits	1.5.0	CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC
Canonical SMILES	CACTVS	3.341	CCOc1ccc(OCC)c(NC(=O)c2cc(C)c(OCCN)c(C)c2)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOc1ccc(c(c1)NC(=O)c2cc(c(c(c2)C)OCCN)C)OCC
InChI	InChI	1.03	InChI=1S/C21H28N2O4/c1-5-25-17-7-8-19(26-6-2)18(13-17)23-21(24)16-11-14(3)20(15(4)12-16)27-10-9-22/h7-8,11-13H,5-6,9-10,22H2,1-4H3,(H,23,24)
InChIKey	InChI	1.03	PHTPPZCTHZHCQD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07625
Name	4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide
Groups	experimental
Synonyms	4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-3,5-dimethylbenzamide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Urokinase-type plasminogen activator	MRALLARLLLCVLVVSDSKGSNELHQVPSNCDCLNGGTCVSNKYFSNIHW...	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