mipomersen (kynamro) Report issue

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AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

7177.25

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: COCCO[C@H]1[C@@H](O)[C@H](COP(=O)(O)S[C@H]2[C@H](COP(=O)(O)S[C@H]3[C@H](COP(=O)(O)S[C@H]4[C@H](COP(=O)(O)S[C@@H]5[C@@H](COP(=O)(O)S[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)S[C@H]7C[C@@H](O[C@@H]7COP(=O)(O)S[C@H]8C[C@@H](O[C@@H]8COP(=O)(O)S[C@H]9C[C@@H](O[C@@H]9COP(=O)(O)S[C@H]%10C[C@@H](O[C@@H]%10COP(=O)(O)S[C@H]%11C[C@@H](O[C@@H]%11COP(=O)(O)S[C@H]%12C[C@@H](O[C@@H]%12COP(=O)(O)S[C@H]%13C[C@@H](O[C@@H]%13COP(=O)(O)S[C@H]%14C[C@@H](O[C@@H]%14COP(=O)(O)S[C@H]%15C[C@@H](O[C@@H]%15COP(=O)(O)S[C@@H]%16[C@@H](COP(=O)(O)S[C@@H]%17[C@@H](COP(=O)(O)S[C@@H]%18[C@@H](COP(=O)(O)S[C@@H]%19[C@@H](COP(=O)(O)S[C@@H]%20[C@@H](CO)O[C@H]([C@@H]%20OCCOC)n%21cnc%22C(=O)NC(=Nc%21%22)N)O[C@H]([C@@H]%19OCCOC)N%23C=C(C)C(=NC%23=O)N)O[C@H]([C@@H]%18OCCOC)N%24C=C(C)C(=NC%24=O)N)O[C@H]([C@@H]%17OCCOC)N%25C=C(C)C(=O)NC%25=O)O[C@H]([C@@H]%16OCCOC)N%26C=C(C)C(=NC%26=O)N)n%27cnc%28c(N)ncnc%27%28)n%29cnc%30C(=O)NC(=Nc%29%30)N)N%31C=C(C)C(=O)NC%31=O)N%32C=C(C)C(=NC%32=O)N)N%33C=C(C)C(=O)NC%33=O)n%34cnc%35C(=O)NC(=Nc%34%35)N)N%36C=C(C)C(=NC%36=O)N)N%37C=C(C)C(=O)NC%37=O)N%38C=C(C)C(=O)NC%38=O)N%39C=C(C)C(=NC%39=O)N)O[C@H]([C@@H]5OCCOC)n%40cnc%41C(=O)NC(=Nc%40%41)N)O[C@@H]([C@H]4OCCOC)N%42C=C(C)C(=NC%42=O)N)O[C@@H]([C@H]3OCCOC)n%43cnc%44c(N)ncnc%43%44)O[C@@H]([C@H]2OCCOC)N%45C=C(C)C(=NC%45=O)N)O[C@@H]1N%46C=C(C)C(=NC%46=O)N
  • InChIKey: TZRFSLHOCZEXCC-HIVFKXHNSA-N
    InChI=1S/C230H324N67O122P19S19/c1-97-55-278(217(309)256-177(97)231)141-45-131(112(400-141)70-381-422(327,328)442-136-50-146(283-66-108(12)196(302)275-228(283)320)406-118(136)76-387-427(337,338)448-140-54-150(294-93-253-154-191(294)266-214(243)270-200(154)306)409-120(140)78-389-428(339,340)446-138-52-148(292-91-250-151-186(240)246-89-248-188(151)292)407-121(138)79-390-430(343,344)450-169-124(413-204(160(169)373-37-27-363-17)286-59-101(5)181(235)260-221(286)313)83-394-435(353,354)455-174-128(417-209(165(174)378-42-32-368-22)291-68-110(14)198(304)277-230(291)322)87-396-434(351,352)453-172-126(415-207(163(172)376-40-30-366-20)289-62-104(8)184(238)263-224(289)316)85-395-433(349,350)452-171-123(412-206(162(171)375-39-29-365-19)288-61-103(7)183(237)262-223(288)315)82-393-432(347,348)449-168-111(69-298)410-211(159(168)372-36-26-362-16)296-95-254-155-192(296)267-215(244)271-201(155)307)439-420(323,324)384-74-117-137(51-147(405-117)284-67-109(13)197(303)276-229(284)321)444-425(333,334)388-77-119-139(53-149(408-119)293-92-252-153-190(293)265-213(242)269-199(153)305)447-426(335,336)386-71-113-132(46-142(401-113)279-56-98(2)178(232)257-218(279)310)440-421(325,326)383-73-115-135(49-145(403-115)282-65-107(11)195(301)274-227(282)319)443-424(331,332)385-75-116-134(48-144(404-116)281-64-106(10)194(300)273-226(281)318)441-423(329,330)382-72-114-133(47-143(402-114)280-57-99(3)179(233)258-219(280)311)445-429(341,342)392-81-129-176(167(380-44-34-370-24)212(419-129)297-96-255-156-193(297)268-216(245)272-202(156)308)457-438(359,360)398-86-127-173(164(377-41-31-367-21)208(416-127)290-63-105(9)185(239)264-225(290)317)454-436(355,356)399-88-130-175(166(379-43-33-369-23)210(418-130)295-94-251-152-187(241)247-90-249-189(152)295)456-437(357,358)397-84-125-170(161(374-38-28-364-18)205(414-125)287-60-102(6)182(236)261-222(287)314)451-431(345,346)391-80-122-157(299)158(371-35-25-361-15)203(411-122)285-58-100(4)180(234)259-220(285)312/h55-68,89-96,111-150,157-176,203-212,298-299H,25-54,69-88H2,1-24H3,(H,323,324)(H,325,326)(H,327,328)(H,329,330)(H,331,332)(H,333,334)(H,335,336)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,349,350)(H,351,352)(H,353,354)(H,355,356)(H,357,358)(H,359,360)(H2,231,256,309)(H2,232,257,310)(H2,233,258,311)(H2,234,259,312)(H2,235,260,313)(H2,236,261,314)(H2,237,262,315)(H2,238,263,316)(H2,239,264,317)(H2,240,246,248)(H2,241,247,249)(H,273,300,318)(H,274,301,319)(H,275,302,320)(H,276,303,321)(H,277,304,322)(H3,242,265,269,305)(H3,243,266,270,306)(H3,244,267,271,307)(H3,245,268,272,308)/t111-,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-,150-,157+,158+,159-,160-,161+,162-,163-,164+,165-,166+,167-,168-,169-,170+,171-,172-,173+,174-,175+,176-,203+,204-,205+,206-,207-,208+,209-,210+,211-,212-/m1/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL2219536   ChEMBL
mipomersen *

CHEMBL502097   ChEMBL
mipomersen sodium

9GJ8S4GU0M   NCATS
mipomersen *

Mipomersen   Wikipedia

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