Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR5429)
Drug Name
Fomivirsen sodium
Synonyms Vitravene; Vitravene Preservative Free; DRG-0234; Vitravene (TN); DNA, d(P-thio)(G-C-G-T-T-T-G-C-T-C-T-T-C-T-T-C-T-T-G-C-G), eicosasodium salt
Indication Cytomegalovirus retinitis [ICD11: 9B72] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 7122 Topological Polar Surface Area 2940
Heavy Atom Count 441 Rotatable Bond Count 122
Hydrogen Bond Donor Count 28 Hydrogen Bond Acceptor Count 144
Cross-matching ID
PubChem CID
71587550
CAS Number
160369-77-7
TTD Drug ID
D0ID4Z
Formula
C204H243N63Na20O114P20S20
Canonical SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=S)([O-])O[C@H]3C[C@@H](O[C@@H]3COP(=S)([O-])O[C@H]4C[C@@H](O[C@@H]4COP(=S)([O-])O[C@H]5C[C@@H](O[C@@H]5COP(=S)([O-])O[C@H]6C[C@@H](O[C@@H]6COP(=S)([O-])O[C@H]7C[C@@H](O[C@@H]7COP(=S)([O-])O[C@H]8C[C@@H](O[C@@H]8COP(=S)([O-])O[C@H]9C[C@@H](O[C@@H]9COP(=S)([O-])O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=S)([O-])OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)O)[S-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C204H263N63O114P20S20.20Na/c1-80-44-253(195(291)237-169(80)270)145-31-98(119(349-145)62-328-387(306,407)367-97-30-144(252-22-16-137(210)226-194(252)290)348-118(97)61-327-400(319,420)380-109-42-157(266-78-219-162-167(266)230-187(214)235-182(162)283)361-131(109)74-340-398(317,418)378-107-40-154(262-53-89(10)178(279)246-204(262)300)357-127(107)70-336-395(314,415)375-104-37-151(259-50-86(7)175(276)243-201(259)297)355-125(104)68-334-396(315,416)376-105-38-152(260-51-87(8)176(277)244-202(260)298)358-128(105)71-337-401(320,421)381-110-43-158(267-79-220-163-168(267)231-188(215)236-183(163)284)359-129(110)72-338-388(307,408)368-93-26-140(248-18-12-133(206)222-190(248)286)343-113(93)56-322-383(302,403)362-91-24-155(341-111(91)54-268)264-76-217-160-165(264)228-185(212)233-180(160)281)369-389(308,409)323-58-115-94(27-141(345-115)249-19-13-134(207)223-191(249)287)364-384(303,404)329-63-120-101(34-148(350-120)256-47-83(4)172(273)240-198(256)294)372-392(311,412)332-66-123-99(32-146(353-123)254-45-81(2)170(271)238-196(254)292)370-390(309,410)324-59-116-95(28-142(346-116)250-20-14-135(208)224-192(250)288)365-385(304,405)330-64-121-102(35-149(351-121)257-48-84(5)173(274)241-199(257)295)373-393(312,413)333-67-124-100(33-147(354-124)255-46-82(3)171(272)239-197(255)293)371-391(310,411)325-60-117-96(29-143(347-117)251-21-15-136(209)225-193(251)289)366-386(305,406)331-65-122-103(36-150(352-122)258-49-85(6)174(275)242-200(258)296)374-394(313,414)335-69-126-106(39-153(356-126)261-52-88(9)177(278)245-203(261)299)377-397(316,417)339-73-130-108(41-156(360-130)265-77-218-161-166(265)229-186(213)234-181(161)282)379-399(318,419)326-57-114-92(25-139(344-114)247-17-11-132(205)221-189(247)285)363-382(301,402)321-55-112-90(269)23-138(342-112)263-75-216-159-164(263)227-184(211)232-179(159)280;;;;;;;;;;;;;;;;;;;;/h11-22,44-53,75-79,90-131,138-158,268-269H,23-43,54-74H2,1-10H3,(H,301,402)(H,302,403)(H,303,404)(H,304,405)(H,305,406)(H,306,407)(H,307,408)(H,308,409)(H,309,410)(H,310,411)(H,311,412)(H,312,413)(H,313,414)(H,314,415)(H,315,416)(H,316,417)(H,317,418)(H,318,419)(H,319,420)(H,320,421)(H2,205,221,285)(H2,206,222,286)(H2,207,223,287)(H2,208,224,288)(H2,209,225,289)(H2,210,226,290)(H,237,270,291)(H,238,271,292)(H,239,272,293)(H,240,273,294)(H,241,274,295)(H,242,275,296)(H,243,276,297)(H,244,277,298)(H,245,278,299)(H,246,279,300)(H3,211,227,232,280)(H3,212,228,233,281)(H3,213,229,234,282)(H3,214,230,235,283)(H3,215,231,236,284);;;;;;;;;;;;;;;;;;;;/q;20*+1/p-20/t90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111+,112+,113+,114+,115+,116+,117+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,153+,154+,155+,156+,157+,158+,382?,383?,384?,385?,386?,387?,388?,389?,390?,391?,392?,393?,394?,395?,396?,397?,398?,399?,400?,401?;;;;;;;;;;;;;;;;;;;;/m0..................../s1
InChIKey
DLKYYJFLRUUGHJ-SSJCJZGYSA-A
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Fomivirsen sodium Metabolite M1 DM018300 N. A. Unclear - Unclear 1 [2]
Mononucleotide DM018759 N. A. Unclear - Unclear 1 [2]
Oligonucleotides DM018758 N. A. Unclear - Unclear 1 [2]
Fomivirsen sodium Metabolite M2 DM018301 N. A. Unclear - Unclear 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR010275 Fomivirsen sodium Fomivirsen sodium Metabolite M1 Unclear - Unclear ENDO [2]
MR011066 Fomivirsen sodium Oligonucleotides Unclear - Unclear ENDO [2]
MR011067 Fomivirsen sodium Mononucleotide Unclear - Unclear ENDO [2]
MR010276 Fomivirsen sodium Metabolite M1 Fomivirsen sodium Metabolite M2 Unclear - Unclear EXO1 [2]
References
1 Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
2 Absorption, Distribution, Metabolism, and Excretion of US Food and Drug Administration-Approved Antisense Oligonucleotide Drugs

If you find any error in data or bug in web service, please kindly report it to Dr. Yin and Dr. Li.