PIQ

2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE

Created:	2001-01-31
Last modified:	2011-06-04

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	17

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Chemical Component Summary
Name	2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
Systematic Name (OpenEye OEToolkits)	1-methyl-6-phenyl-imidazo[4,5-b]pyridin-2-amine
Formula	C₁₃ H₁₂ N₄
Molecular Weight	224.261
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cc(cc2c1nc(n2C)N)c3ccccc3
SMILES	CACTVS	3.341	Cn1c(N)nc2ncc(cc12)c3ccccc3
SMILES	OpenEye OEToolkits	1.5.0	Cn1c2cc(cnc2nc1N)c3ccccc3
Canonical SMILES	CACTVS	3.341	Cn1c(N)nc2ncc(cc12)c3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cn1c2cc(cnc2nc1N)c3ccccc3
InChI	InChI	1.03	InChI=1S/C13H12N4/c1-17-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(17)14/h2-8H,1H3,(H2,14,15,16)
InChIKey	InChI	1.03	UQVKZNNCIHJZLS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08398
Name	2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine
Groups	investigational
Description	PhIP (2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine) has been used in trials studying the basic science of Pancreas Cancer.
Synonyms	2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine PhIP 2-Amino-1-methyl-6-phenylimidazo(4,5-b)pyridine
Categories	Carcinogens Mutagens Noxae Toxic Actions
CAS number	105650-23-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Estrogen receptor alpha	MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPA...	unknown
Nuclear receptor coactivator 2	MSGMGENTSDPSRAETRKRKECPDQLGPSPKRNTEKRNREQENKYIEELA...	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