QIG

N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine

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

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1 entries where QIG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	28

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Chemical Component Summary
Name	N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
Systematic Name (OpenEye OEToolkits)	N-(1H-indazol-5-yl)-2-(6-methylpyridin-2-yl)quinazolin-4-amine
Formula	C₂₁ H₁₆ N₆
Molecular Weight	352.392
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c(cccc1c3nc2c(cccc2)c(n3)Nc4cc5c(cc4)nnc5)C
SMILES	CACTVS	3.341	Cc1cccc(n1)c2nc(Nc3ccc4[nH]ncc4c3)c5ccccc5n2
SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5
Canonical SMILES	CACTVS	3.341	Cc1cccc(n1)c2nc(Nc3ccc4[nH]ncc4c3)c5ccccc5n2
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cc1cccc(n1)c2nc3ccccc3c(n2)Nc4ccc5c(c4)cn[nH]5
InChI	InChI	1.03	InChI=1S/C21H16N6/c1-13-5-4-8-19(23-13)21-25-18-7-3-2-6-16(18)20(26-21)24-15-9-10-17-14(11-15)12-22-27-17/h2-12H,1H3,(H,22,27)(H,24,25,26)
InChIKey	InChI	1.03	HNHRWNUXTCATSG-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08450
Name	N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
Groups	experimental
Synonyms	N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
TGF-beta receptor type-1	MEAAVAAPRPRLLLLVLAAAAAAAAALLPGATALQCFCHLCTKDNFTCVT...	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