IDN

(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE

Created:	2002-08-28
Last modified:	2020-06-05

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1 entries where IDN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	16

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Chemical Component Summary
Name	(E)-N-METHYL-N-(1-METHYL-1H-INDOL-3-YLMETHYL)-3-(7-OXO-5,6,7,8-TETRAHYDRO-[1,8]NAPHTHYRIDIN-3-YL)-ACRYLAMIDE
Synonyms	INDOLE NAPHTHYRIDINONE
Systematic Name (OpenEye OEToolkits)	(E)-N-methyl-N-[(1-methylindol-3-yl)methyl]-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
Formula	C₂₂ H₂₂ N₄ O₂
Molecular Weight	374.436
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2Nc1ncc(cc1CC2)\C=C\C(=O)N(C)Cc4c3ccccc3n(c4)C
SMILES	CACTVS	3.341	CN(Cc1cn(C)c2ccccc12)C(=O)C=Cc3cnc4NC(=O)CCc4c3
SMILES	OpenEye OEToolkits	1.5.0	Cn1cc(c2c1cccc2)CN(C)C(=O)C=Cc3cc4c(nc3)NC(=O)CC4
Canonical SMILES	CACTVS	3.341	CN(Cc1cn(C)c2ccccc12)C(=O)/C=C/c3cnc4NC(=O)CCc4c3
Canonical SMILES	OpenEye OEToolkits	1.5.0	Cn1cc(c2c1cccc2)CN(C)C(=O)\C=C\c3cc4c(nc3)NC(=O)CC4
InChI	InChI	1.03	InChI=1S/C22H22N4O2/c1-25-13-17(18-5-3-4-6-19(18)25)14-26(2)21(28)10-7-15-11-16-8-9-20(27)24-22(16)23-12-15/h3-7,10-13H,8-9,14H2,1-2H3,(H,23,24,27)/b10-7+
InChIKey	InChI	1.03	VAZMNDXVXVUKFY-JXMROGBWSA-N

Drug Info: DrugBank

DrugBank ID	DB01691
Name	Indole Naphthyridinone
Groups	experimental
Synonyms	Indole Naphthyridinone

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI	MGFLSGKRILVTGVASKLSIAYGIAQAMHREGAELAFTYQNDKLKGRVEE...	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