LY2

2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE

Created:	2000-09-11
Last modified:	2020-06-05

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5 entries where LY2 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	18

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Chemical Component Summary
Name	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE
Synonyms	2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE
Systematic Name (OpenEye OEToolkits)	2-morpholin-4-yl-8-phenyl-chromen-4-one
Formula	C₁₉ H₁₇ N O₃
Molecular Weight	307.343
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
SMILES	CACTVS	3.341	O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4
Canonical SMILES	CACTVS	3.341	O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4
InChI	InChI	1.03	InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2
InChIKey	InChI	1.03	CZQHHVNHHHRRDU-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB02656
Name	LY-294002
Groups	experimental
Description	Specific inhibitor of phosphatidylinositol 3-kinase.
Synonyms	2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one LY-294002 LY-294002 hydrochloride
Categories	Benzopyrans Enzyme Inhibitors Heterocyclic Compounds, Fused-Ring Oxazines Phosphatidylinositol 3-Kinases, antagonists & inhibitors Pyrans
CAS number	154447-36-6

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	MELENYKQPVVLREDNCRRRRRMKPRSAAASLSSMELIPIEFVLPTSQRK...	unknown
Serine/threonine-protein kinase pim-1	MPHEPHEPLTPPFSALPDPAGAPSRRQSRQRPQLSSDSPSAFRASRSHSR...	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