GEQ

5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE

Created:	2003-08-30
Last modified:	2021-03-01

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1 entries where GEQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	23

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Chemical Component Summary
Name	5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE
Synonyms	GENZ-10850
Systematic Name (OpenEye OEToolkits)	[4-(9H-fluoren-9-yl)piperazin-1-yl]-(1H-indol-5-yl)methanone
Formula	C₂₆ H₂₃ N₃ O
Molecular Weight	393.48
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(N4CCN(C3c1c(cccc1)c2ccccc23)CC4)c6ccc5nccc5c6
SMILES	CACTVS	3.341	O=C(N1CCN(CC1)C2c3ccccc3c4ccccc24)c5ccc6[nH]ccc6c5
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6
Canonical SMILES	CACTVS	3.341	O=C(N1CCN(CC1)C2c3ccccc3c4ccccc24)c5ccc6[nH]ccc6c5
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)-c3ccccc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6
InChI	InChI	1.03	InChI=1S/C26H23N3O/c30-26(19-9-10-24-18(17-19)11-12-27-24)29-15-13-28(14-16-29)25-22-7-3-1-5-20(22)21-6-2-4-8-23(21)25/h1-12,17,25,27H,13-16H2
InChIKey	InChI	1.03	YYMZSGIXLQPFAC-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04289
Name	Genz-10850
Groups	experimental
Synonyms	Genz-10850
Categories	Heterocyclic Compounds, Fused-Ring

Drug Targets

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