L05

1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE

Created:	2005-08-16
Last modified:	2011-06-04

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1 entries where L05 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	52
Aromatic Bond Count	18

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Chemical Component Summary
Name	1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE
Systematic Name (OpenEye OEToolkits)	3-[(4-methoxyphenyl)amino]-4-phenyl-1-(phenylmethyl)pyrrole-2,5-dione
Formula	C₂₄ H₂₀ N₂ O₃
Molecular Weight	384.427
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1C(=C(C(=O)N1Cc2ccccc2)Nc3ccc(OC)cc3)c4ccccc4
SMILES	CACTVS	3.341	COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c4ccccc4)cc1
SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4
Canonical SMILES	CACTVS	3.341	COc1ccc(NC2=C(C(=O)N(Cc3ccccc3)C2=O)c4ccccc4)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	COc1ccc(cc1)NC2=C(C(=O)N(C2=O)Cc3ccccc3)c4ccccc4
InChI	InChI	1.03	InChI=1S/C24H20N2O3/c1-29-20-14-12-19(13-15-20)25-22-21(18-10-6-3-7-11-18)23(27)26(24(22)28)16-17-8-4-2-5-9-17/h2-15,25H,16H2,1H3
InChIKey	InChI	1.03	HLZMYWLMBBLASX-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08063
Name	1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE
Groups	experimental
Synonyms	1-BENZYL-3-(4-METHOXYPHENYLAMINO)-4-PHENYLPYRROLE-2,5-DIONE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Retinoic acid receptor RXR-alpha	MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSP...	unknown
Oxysterols receptor LXR-alpha	MSLWLGAPVPDIPPDSAVELWKPGAQDASSQAQGGSSCILREEARMPHSA...	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