FDN

(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE

Created:	2006-02-10
Last modified:	2021-03-13

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1 entries where FDN is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	1
Bond Count	37
Aromatic Bond Count	12

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Chemical Component Summary
Name	(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE
Synonyms	5-(2,4-DIFLUORO-PHENYL)-5-METHYL-3-PHENYLAMINO-OXAZOLIDINE-2,4-DIONE
Systematic Name (OpenEye OEToolkits)	(5S)-5-(2,4-difluorophenyl)-5-methyl-3-phenylazanyl-1,3-oxazolidine-2,4-dione
Formula	C₁₆ H₁₂ F₂ N₂ O₃
Molecular Weight	318.275
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2OC(C(=O)N2Nc1ccccc1)(c3ccc(F)cc3F)C
SMILES	CACTVS	3.341	C[C]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(F)cc3F
SMILES	OpenEye OEToolkits	1.5.0	CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F
Canonical SMILES	CACTVS	3.341	C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(F)cc3F
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@]1(C(=O)N(C(=O)O1)Nc2ccccc2)c3ccc(cc3F)F
InChI	InChI	1.03	InChI=1S/C16H12F2N2O3/c1-16(12-8-7-10(17)9-13(12)18)14(21)20(15(22)23-16)19-11-5-3-2-4-6-11/h2-9,19H,1H3/t16-/m0/s1
InChIKey	InChI	1.03	OZZFJGCAYWBVBI-INIZCTEOSA-N

Drug Info: DrugBank

DrugBank ID	DB07763
Name	(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE
Groups	experimental
Synonyms	(5S)-3-ANILINO-5-(2,4-DIFLUOROPHENYL)-5-METHYL-1,3-OXAZOLIDINE-2,4-DIONE

Drug Targets

Name	Target Sequence	Pharmacological Action
Cytochrome c1, heme protein, mitochondrial	MAAAAASLRGVVLGPRGAGLPGARARGLLCSARPGQLPLRTPQAVALSSK...	unknown
Cytochrome b	MTPMRKTNPLMKLINHSFIDLPTPSNISAWWNFGSLLGACLILQITTGLF...	unknown
Cytochrome b-c1 complex subunit 1, mitochondrial	MAASVVCRAATAGAQVLLRARRSPALLRTPALRSTATFAQALQFVPETQV...	unknown
Cytochrome b-c1 complex subunit 2, mitochondrial	MKLLTRAGSFSRFYSLKVAPKVKATAAPAGAPPQPQDLEFTKLPNGLVIA...	unknown
Cytochrome b-c1 complex subunit 6, mitochondrial	MGLEDEQKMLTESGDPEEEEEEEEELVDPLTTVREQCEQLEKCVKARERL...	unknown
Cytochrome b-c1 complex subunit 8	MGREFGNLTRMRHVISYSLSPFEQRAYPHVFTKGIPNVLRRIRESFFRVV...	unknown
Cytochrome b-c1 complex subunit Rieske, mitochondrial	MLSVASRSGPFAPVLSATSRGVAGALRPLVQATVPATPEQPVLDLKRPFL...	unknown
Cytochrome b-c1 complex subunit 10	MVTRFLGPRYRELVKNWVPTAYTWGAVGAVGLVWATDWRLILDWVPYING...	unknown
Cytochrome b-c1 complex subunit 7	MAGKQAVSASGKWLDGIRKWYYNAAGFNKLGLMRDDTIYEDEDVKEAIRR...	unknown
Cytochrome b-c1 complex subunit 9	MAAATLTSKLYSLLFRRTSTFALTIIVGVMFFERAFDQGADAIYDHINEG...	unknown
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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