AT6

N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE

Created:	2005-12-16
Last modified:	2011-06-04

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1 entries where AT6 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

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Chemical Component Summary
Name	N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE
Systematic Name (OpenEye OEToolkits)	N-[2-(6-amino-4-methyl-pyridin-2-yl)ethyl]-4-cyano-benzamide
Formula	C₁₆ H₁₆ N₄ O
Molecular Weight	280.324
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	N#Cc1ccc(cc1)C(=O)NCCc2nc(N)cc(c2)C
SMILES	CACTVS	3.341	Cc1cc(N)nc(CCNC(=O)c2ccc(cc2)C#N)c1
SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N
Canonical SMILES	CACTVS	3.341	Cc1cc(N)nc(CCNC(=O)c2ccc(cc2)C#N)c1
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cc(nc(c1)N)CCNC(=O)c2ccc(cc2)C#N
InChI	InChI	1.03	InChI=1S/C16H16N4O/c1-11-8-14(20-15(18)9-11)6-7-19-16(21)13-4-2-12(10-17)3-5-13/h2-5,8-9H,6-7H2,1H3,(H2,18,20)(H,19,21)
InChIKey	InChI	1.03	QINCZVSBLITNRD-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB07389
Name	N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE
Groups	experimental
Synonyms	N-[2-(6-AMINO-4-METHYLPYRIDIN-2-YL)ETHYL]-4-CYANOBENZAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase, inducible	MACPWKFLFKTKFHQYAMNGEKDINNNVEKAPCATSSPVTQDDLQYHNLS...	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