Details of the Drug Metabolite (DM) | INTEDE

General Information of Drug Metabolite (DM) (ID: DM020053)
DM Name	Isonicotinic acyl-NADH
Synonyms	Fludarabine\|21679-14-1\|F-Ara-A\|(2R,3S,4S,5R)-2-(6-Amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol\|2-Fluoro Ara-A\|Fludarabine [INN]\|9-beta-D-Arabinofuranosyl-2-fluoroadenine\|Fludarabinum\|NSC 118218\|2-F-ara-A\|(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol\|Fludarabine (INN)\|CCRIS 3382\|2-Fluoro-9-beta-D-arabinofuranosyladenine\|(2R,3S,4S,5R)-2-(6-amino-2-fluoro-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol\|2-F-ARAA\|9-b-d-arabinofuranosyl-2-fluoroadenine\|MLS000028687\|DTXSID4039657\|P2K93U8740\|Fludarabine (Fludara)\|SMR000058874\|2-Fluoroadenine-9-beta-D-arabinofuranoside\|Fludarabinum [Latin]\|DTXCID2019657\|Fludarabina [Spanish]\|Fludarabina\|NSC 118218H\|FaraA\|NSC-118218\|Fluradosa (TN)\|CAS-21679-14-1\|2-FLUORO-9-ARABINOADENINE\|MFCD00132942\|F-ara-A;NSC 118218\|UNII-P2K93U8740\|HSDB 6964\|NCGC00181336-01\|EINECS 244-525-5\|Fludarabine free base\|9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-2-fluoro-\|2F-Ara-A\|FLUDARABINE [MI]\|2-FLUORO-ARA-A\|Adenine, 9-beta-D-arabinofuranosyl-2-fluoro-\|FLUDARABINE [HSDB]\|FLUDARABINE [VANDF]\|SCHEMBL3510\|CHEMBL1568\|FLUDARABINE [WHO-DD]\|MLS006011578\|9-beta-D-arabinofuranosyl-2-fluoro-9H-purin-6-amine\|cid_657237\|GTPL4802\|BDBM68391\|CHEBI:94701\|EX-A833\|HBUBKKRHXORPQB-FJFJXFQQSA-N\|BCPP000227\|HMS2232K13\|HMS3259F09\|HMS3413N14\|HMS3677N14\|HMS3715F15\|BCP01383\|HY-B0069\|Tox21_112795\|Tox21_113419\|HG1007\|s1491\|AKOS015854911\|AKOS015916481\|Tox21_113419_1\|BCP9000693\|CCG-221147\|DB01073\|DS-1271\|NC00633\|9-ss-D-Arabinofuranosyl-2-fluoroadenine\|NCGC00021920-04\|NCGC00181336-03\|NCGC00182047-03\|BP-25389\|BP-55389\|AM20090199\|F0658\|EN300-52641\|C21550\|D07966\|AB00383071-11\|AB00383071_13\|SR-01000000270\|2-FLUORO-9-.BETA.-D-ARABINOFURANOSYLADENINE\|9-.BETA.-D-ARABINOFURANOSYL-2-FLUOROADENINE\|9-?-D-Arabinofuranosyl-2-fluoro-9H-purin-6-amine\|9-\|A-D-Arabinofuranosyl-2-fluoro-9H-purin-6-amine\|SR-01000000270-2\|9-(?-D-Arabinofuranosyl)-2-fluoro-9H-purin-6-amine\|FLUDARABINE PHOSPHATE IMPURITY E [EP IMPURITY]\|Z756440078\|9-.BETA.-D-ARABINOFURANOSYL-2-FLUORO-9H-PURIN-6-AMINE\|FLUDARABINE PHOSPHATE IMPURITY, 2-FLUORO-ARA-ADENINE- [USP IMPURITY]\|(2R,3S,4S,5R)-2-(6-amino-2-fluoro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol\|(2R,3S,4S,5R)-2-(6-amino-2-fluoro-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol\|(2R,3S,4S,5R)-2-(6-azanyl-2-fluoranyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol\|2-Fluoroadenine-9-beta-D-arabinofuranoside, DNA synthesis and methylation inhibitor
Structure
Structure	3D MOL			2D MOL
Pharmaceutical Properties	Molecular Weight		285.23	Topological Polar Surface Area		140
	Heavy Atom Count		20	Rotatable Bond Count		2
	Hydrogen Bond Donor Count		4	Hydrogen Bond Acceptor Count		9
PubChem CID	129320363
Complexity	367
Formula	C10H12FN5O4
Canonical SMILES	C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N
InChI	InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1
InChIKey	HBUBKKRHXORPQB-FJFJXFQQSA-N
IUPAC name	(2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Full List of Drug-Metabolizing Enzyme (DME) Related to This DM

DME(s) Producing This DM through Metabolism

DME Name	DME ID	Reactant	Reaction	Related Drug	REF
peroxidase (POD)	DMEN093	Isoniazid	Multi-steps Reaction - Reduction; Oxidation	Isoniazid	[1]

Full List of Drug(s) That Produce This DM By Metabolism
Isoniazid		DR0886	Approved		Pulmonary tuberculosis

SNX-5422		DR4349	Phase 1/2		Lung cancer

References
1	The tuberculosis prodrug isoniazid bound to activating peroxidases

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