IZZ

(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol

Created:	2008-11-04
Last modified:	2011-06-04

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	17

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Chemical Component Summary
Name	(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
Systematic Name (OpenEye OEToolkits)	(2S)-2-[[3-(3-aminophenyl)imidazo[2,1-f]pyridazin-6-yl]amino]-3-methyl-butan-1-ol
Formula	C₁₇ H₂₁ N₅ O
Molecular Weight	311.382
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1cc(n2nc(ccc12)NC(C(C)C)CO)c3cccc(N)c3
SMILES	CACTVS	3.341	CC(C)[CH](CO)Nc1ccc2ncc(n2n1)c3cccc(N)c3
SMILES	OpenEye OEToolkits	1.5.0	CC(C)C(CO)Nc1ccc2ncc(n2n1)c3cccc(c3)N
Canonical SMILES	CACTVS	3.341	CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3cccc(N)c3
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)[C@@H](CO)Nc1ccc2ncc(n2n1)c3cccc(c3)N
InChI	InChI	1.03	InChI=1S/C17H21N5O/c1-11(2)14(10-23)20-16-6-7-17-19-9-15(22(17)21-16)12-4-3-5-13(18)8-12/h3-9,11,14,23H,10,18H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKey	InChI	1.03	PUMVONFFLKPPIM-CQSZACIVSA-N

Drug Info: DrugBank

DrugBank ID	DB08004
Name	(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol
Groups	experimental
Synonyms	(2S)-2-{[3-(3-aminophenyl)imidazo[1,2-b]pyridazin-6-yl]amino}-3-methylbutan-1-ol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Serine/threonine-protein kinase haspin	MAASLPGPGSRLFRTYGAADGRRQRRPGREAAQWFPPQDRRRFFNSSGSS...	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