IYZ

1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE

Created:	2005-10-07
Last modified:	2021-03-01

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3 entries where IYZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	17

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Chemical Component Summary
Name	1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE
Synonyms	IMIDAZOPYRIDAZIN 1
Systematic Name (OpenEye OEToolkits)	1-[3-[6-(cyclopropylmethylamino)imidazo[2,3-f]pyridazin-3-yl]phenyl]ethanone
Formula	C₁₈ H₁₈ N₄ O
Molecular Weight	306.362
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(c4cccc(c1cnc2ccc(nn12)NCC3CC3)c4)C
SMILES	CACTVS	3.341	CC(=O)c1cccc(c1)c2cnc3ccc(NCC4CC4)nn23
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4
Canonical SMILES	CACTVS	3.341	CC(=O)c1cccc(c1)c2cnc3ccc(NCC4CC4)nn23
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4
InChI	InChI	1.03	InChI=1S/C18H18N4O/c1-12(23)14-3-2-4-15(9-14)16-11-20-18-8-7-17(21-22(16)18)19-10-13-5-6-13/h2-4,7-9,11,13H,5-6,10H2,1H3,(H,19,21)
InChIKey	InChI	1.03	IVUBNTNWKIPCPS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04715
Name	IMIDAZOPYRIDAZIN 1
Groups	experimental
Synonyms	IMIDAZOPYRIDAZIN 1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Serine/threonine-protein kinase pim-1	MLLSKINSLAHLRAAPCNDLHATKLAPGKEKEPLESQYQVGPLLGSGGFG...	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