R8U

Zoliflodacin

Created:	2022-11-26
Last modified:	2023-02-08

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Chemical Details
Formal Charge	0
Atom Count	57
Chiral Atom Count	4
Bond Count	62
Aromatic Bond Count	10

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Chemical Component Summary
Name	Zoliflodacin
Synonyms	(4'~{R},6'~{S},7'~{S})-17'-fluoranyl-4',6'-dimethyl-13'-[(4~{S})-4-methyl-2-oxidanylidene-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
Systematic Name (OpenEye OEToolkits)	(4'~{R},6'~{S},7'~{S})-17'-fluoranyl-4',6'-dimethyl-13'-[(4~{S})-4-methyl-2-oxidanylidene-1,3-oxazolidin-3-yl]spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
Formula	C₂₂ H₂₂ F N₅ O₇
Molecular Weight	487.438
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[CH]1CN2[CH]([CH](C)O1)C3(Cc4cc5c(onc5N6[CH](C)COC6=O)c(F)c24)C(=O)NC(=O)NC3=O
SMILES	OpenEye OEToolkits	3.1.0.0	CC1CN2c3c(cc4c(c3F)onc4N5C(COC5=O)C)CC6(C2C(O1)C)C(=O)NC(=O)NC6=O
Canonical SMILES	CACTVS	3.385	C[C@@H]1CN2[C@H]([C@H](C)O1)C3(Cc4cc5c(onc5N6[C@@H](C)COC6=O)c(F)c24)C(=O)NC(=O)NC3=O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C[C@@H]1CN2c3c(cc4c(c3F)onc4N5[C@H](COC5=O)C)CC6([C@H]2[C@@H](O1)C)C(=O)NC(=O)NC6=O
InChI	InChI	1.06	InChI=1S/C22H22FN5O7/c1-8-7-33-21(32)28(8)17-12-4-11-5-22(18(29)24-20(31)25-19(22)30)16-10(3)34-9(2)6-27(16)14(11)13(23)15(12)35-26-17/h4,8-10,16H,5-7H2,1-3H3,(H2,24,25,29,30,31)/t8-,9+,10-,16+/m0/s1
InChIKey	InChI	1.06	ZSWMIFNWDQEXDT-ZESJGQACSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB12817
Name	Zoliflodacin
Groups	investigational
Description	Zoliflodacin has been used in trials studying the basic science and treatment of Gonorrhoea.
Synonyms	Zoliflodacin
Categories	Antineoplastic Agents Enzyme Inhibitors Oxazines Oxazoles Pyrimidines Pyrimidinones Topoisomerase II Inhibitors Topoisomerase Inhibitors
CAS number	1620458-09-4

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
DNA gyrase subunit A	MAELPQSRINERNITSEMRESFLDYAMSVIVARALPDVRDGLKPVHRRIL...	unknown	modulator
DNA gyrase subunit B	MVTALSDVNNTDNYGAGQIQVLEGLEAVRKRPGMYIGSTSERGLHHLVWE...	unknown	modulator

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