Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D02VBX
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| Former ID |
DIB004256
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| Drug Name |
ISIS-SOD1Rx
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| Synonyms |
ALS antisense therapeutics, Isis; ISIS-333611; Antisense oligonucleotides (SOD1), Isis
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| Drug Type |
Antisense drug
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| Indication | Motor neurone disease [ICD9: 335.2; ICD10:G12.2] | Phase 1 | [522907] | ||
| Company |
Isis Pharmaceuticals Inc
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| Structure |
|
Download2D MOL |
|||
| Formula |
C230H305N71Na19O119P19S19
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| Canonical SMILES |
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=S)([O-])OC3CC(OC3COP(=<br />S)([O-])OC4CC(OC4COP(=S)([O-])OC5CC(OC5COP(=S)([O-])OC6<br />CC(OC6COP(=S)([O-])OC7CC(OC7COP(=S)([O-])OC8C(OC(C8OCCO<br />C)N9C=C(C(=NC9=O)N)C)COP(=S)([O-])OC1C(OC(C1OCCOC)N1C=C<br />(C(=O)NC1=O)C)COP(=S)([O-])OC1C(OC(C1OCCOC)N1C=NC2=C1N=<br />C(NC2=O)N)COP(=S)([O-])OC1C(OC(C1OCCOC)N1C=C(C(=NC1=O)N<br />)C)COP(=S)([O-])OC1C(OC(C1OCCOC)N1C=C(C(=NC1=O)N)C)CO)N<br />1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=NC1=O)N)C)N1C=C(C(=NC1=O)<br />N)C)N1C=C(C(=NC1=O)N)C)N1C=C(C(=O)NC1=O)C)OP(=S)([O-])O<br />CC1C(CC(O1)N1C=C(C(=NC1=O)N)C)OP(=O)(OCC1C(CC(O1)N1C=NC<br />2=C1N=CN=C2N)OP(=S)([O-])OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=<br />O)N)OP(=S)([O-])OCC1C(CC(O1)N1C=C(C(=NC1=O)N)C)OP(=S)([<br />O-])OCC1C(C(C(O1)N1C=NC2=C1N=CN=C2N)OCCOC)OP(=S)([O-])O<br />CC1C(C(C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)([O-])OCC1C(<br />C(C(O1)N1C=NC2=C1N=C(NC2=O)N)OCCOC)OP(=S)([O-])OCC1C(C(<br />C(O1)N1C=C(C(=NC1=O)N)C)OCCOC)OP(=S)([O-])OCC1C(C(C(O1)<br />N1C=NC2=C1N=CN=C2N)OCCOC)O)[S-].[Na+].[Na+].[Na+].[Na+]<br />.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].<br />[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
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| InChI |
1S/C230H324N71O119P19S19.19Na/c1-97-54-282(218(311)261-177(97)231)140-44-110(121(382-140)68-364-422(325,441)403-112-46-142(284-56-99(3)179(233)263-220(284)313)385-124(112)71-368-428(331,447)411-119-53-149(297-92-258-154-194(297)272-215(245)276-201(154)308)391-130(119)77-372-431(334,450)413-159-133(395-206(169(159)355-36-26-345-16)290-60-103(7)183(237)267-224(290)317)81-376-434(337,453)417-163-136(398-210(173(163)359-40-30-349-20)294-66-109(13)199(306)281-230(294)323)84-379-439(342,458)420-166-139(401-213(176(166)362-43-33-352-23)301-96-260-156-196(301)274-217(247)278-203(156)310)85-380-435(338,454)415-161-132(394-208(171(161)357-38-28-347-18)292-62-105(9)185(239)269-226(292)319)80-375-433(336,452)412-158-120(67-302)392-205(168(158)354-35-25-344-15)289-59-102(6)182(236)266-223(289)316)402-421(324,440)363-69-122-111(45-141(383-122)283-55-98(2)178(232)262-219(283)312)404-423(326,442)366-73-126-116(50-146(387-126)288-65-108(12)198(305)280-229(288)322)407-425(328,444)367-74-127-115(49-145(388-127)287-64-107(11)197(304)279-228(287)321)406-424(327,443)365-70-123-113(47-143(384-123)285-57-100(4)180(234)264-221(285)314)405-426(329,445)370-75-128-117(51-147(389-128)295-90-254-150-187(241)248-87-251-190(150)295)409-429(332,448)371-76-129-118(52-148(390-129)296-91-257-153-193(296)271-214(244)275-200(153)307)410-427(330,446)369-72-125-114(48-144(386-125)286-58-101(5)181(235)265-222(286)315)408-430(333,449)374-79-137-164(174(360-41-31-350-21)211(399-137)299-94-256-152-189(243)250-89-253-192(152)299)418-437(340,456)377-83-135-162(172(358-39-29-348-19)209(397-135)293-63-106(10)186(240)270-227(293)320)416-436(339,455)381-86-138-165(175(361-42-32-351-22)212(400-138)300-95-259-155-195(300)273-216(246)277-202(155)309)419-438(341,457)378-82-134-160(170(356-37-27-346-17)207(396-134)291-61-104(8)184(238)268-225(291)318)414-432(335,451)373-78-131-157(303)167(353-34-24-343-14)204(393-131)298-93-255-151-188(242)249-88-252-191(151)298;;;;;;;;;;;;;;;;;;;/h54-66,87-96,110-149,157-176,204-213,302-303H,24-53,67-86H2,1-23H3,(H,324,440)(H,325,441)(H,326,442)(H,327,443)(H,328,444)(H,329,445)(H,330,446)(H,331,447)(H,332,448)(H,333,449)(H,334,450)(H,335,451)(H,336,452)(H,337,453)(H,338,454)(H,339,455)(H,340,456)(H,341,457)(H,342,458)(H2,231,261,311)(H2,232,262,312)(H2,233,263,313)(H2,234,264,314)(H2,235,265,315)(H2,236,266,316)(H2,237,267,317)(H2,238,268,318)(H2,239,269,319)(H2,240,270,320)(H2,241,248,251)(H2,242,249,252)(H2,243,250,253)(H,279,304,321)(H,280,305,322)(H,281,306,323)(H3,244,271,275,307)(H3,245,272,276,308)(H3,246,273,277,309)(H3,247,274,278,310);;;;;;;;;;;;;;;;;;;/q;19*+1/p-19/t110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,204+,205+,206+,207+,208+,209+,210+,211+,212+,213+,421?,422?,423?,424?,425?,426?,427?,428?,429?,430?,431?,432?,433?,434?,435?,436?,437?,438?,439?;;;;;;;;;;;;;;;;;;;/m0.................../s1
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| InChIKey |
RXRFPTFLAMOTBU-PMWOLJKMSA-A
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | mRNA of copper zinc superoxide dismutase 1 | Target Info | [522907] | ||
| BioCyc Pathway | Reactive oxygen species degradation | ||||
| NetPath Pathway | TCR Signaling Pathway | ||||
| Pathway Interaction Database | Validated nuclear estrogen receptor alpha network | ||||
| FOXA1 transcription factor network | |||||
| PathWhiz Pathway | Degradation of Superoxides | ||||
| References | |||||
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