ZMA

4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol

Created:	2008-09-25
Last modified:	2011-06-04

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31 entries where ZMA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	22

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Chemical Component Summary
Name	4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
Systematic Name (OpenEye OEToolkits)	4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-e][1,3,5]triazin-5-yl]amino]ethyl]phenol
Formula	C₁₆ H₁₅ N₇ O₂
Molecular Weight	337.336
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1n3c(nc(nc3nc1c2occc2)NCCc4ccc(O)cc4)N
SMILES	CACTVS	3.341	Nc1nc(NCCc2ccc(O)cc2)nc3nc(nn13)c4occc4
SMILES	OpenEye OEToolkits	1.5.0	c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O
Canonical SMILES	CACTVS	3.341	Nc1nc(NCCc2ccc(O)cc2)nc3nc(nn13)c4occc4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)O
InChI	InChI	1.03	InChI=1S/C16H15N7O2/c17-14-20-15(18-8-7-10-3-5-11(24)6-4-10)21-16-19-13(22-23(14)16)12-2-1-9-25-12/h1-6,9,24H,7-8H2,(H3,17,18,19,20,21,22)
InChIKey	InChI	1.03	PWTBZOIUWZOPFT-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08770
Name	4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
Groups	experimental
Synonyms	4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Adenosine receptor A2a	MPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAA...	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