LI7

(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE

Created:	2005-03-07
Last modified:	2011-06-04

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1 entries where LI7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	12

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Chemical Component Summary
Name	(3E)-3-[(4-HYDROXYPHENYL)IMINO]-1H-INDOL-2(3H)-ONE
Systematic Name (OpenEye OEToolkits)	(3Z)-3-(4-hydroxyphenyl)imino-1H-indol-2-one
Formula	C₁₄ H₁₀ N₂ O₂
Molecular Weight	238.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C3C(=N/c1ccc(O)cc1)\c2ccccc2N3
SMILES	CACTVS	3.341	Oc1ccc(cc1)N=C2C(=O)Nc3ccccc23
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=Nc3ccc(cc3)O)C(=O)N2
Canonical SMILES	CACTVS	3.341	Oc1ccc(cc1)N=C2C(=O)Nc3ccccc23
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)/C(=N/c3ccc(cc3)O)/C(=O)N2
InChI	InChI	1.03	InChI=1S/C14H10N2O2/c17-10-7-5-9(6-8-10)15-13-11-3-1-2-4-12(11)16-14(13)18/h1-8,17H,(H,15,16,18)
InChIKey	InChI	1.03	ZJASRZFZRYISET-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB03650
Name	(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One
Groups	experimental
Synonyms	(3e)-3-[(4-Hydroxyphenyl)Imino]-1h-Indol-2(3h)-One

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
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