AGATOLIMOD

Search structure
Synonyms:
Status: Phase 3
Entry Type: Oligonucleotide
Molecule Category: UNKNOWN
UNII: 5V336PV3HG

Structure
InChI Key OKYYOKGIPDRZJA-CPSXWDTOSA-N
Smile Cc1cn([C@H]2C[C@H](O)[C@@H](COP(O)(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4ccc(N)nc4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3COP(O)(=S)O[C@H]3C[C@H](n4cc(C)c(=O)[nH]c4=O)O[C@@H]3CO)O2)c(=O)[nH]c1=O
InChI
InChI=1S/C236H303N70O133P23S23/c1-91-47-287(223(333)269-193(91)309)157-23-105(308)130(394-157)62-370-440(347,463)418-107-25-158(283-19-15-153(237)253-219(283)329)395-131(107)63-372-457(364,480)434-123-41-175(301-85-247-181-187(301)257-213(241)263-207(181)323)412-148(123)80-388-452(359,475)429-118-36-170(296-56-100(10)202(318)278-232(296)342)400-136(118)68-376-442(349,465)419-109-27-160(285-21-17-155(239)255-221(285)331)397-133(109)65-374-459(366,482)436-125-43-177(303-87-249-183-189(303)259-215(243)265-209(183)325)413-149(125)81-389-455(362,478)432-121-39-173(299-59-103(13)205(321)281-235(299)345)407-143(121)75-383-447(354,470)424-114-32-166(292-52-96(6)198(314)274-228(292)338)403-139(114)71-379-445(352,468)422-113-31-165(291-51-95(5)197(313)273-227(291)337)406-142(113)74-382-450(357,473)427-117-35-169(295-55-99(9)201(317)277-231(295)341)410-146(117)78-386-462(369,485)439-128-46-180(306-90-252-186-192(306)262-218(246)268-212(186)328)416-152(128)84-392-454(361,477)431-120-38-172(298-58-102(12)204(320)280-234(298)344)402-138(120)70-378-444(351,467)421-110-28-161(286-22-18-156(240)256-222(286)332)398-134(110)66-375-460(367,483)437-126-44-178(304-88-250-184-190(304)260-216(244)266-210(184)326)414-150(126)82-390-456(363,479)433-122-40-174(300-60-104(14)206(322)282-236(300)346)408-144(122)76-384-448(355,471)425-115-33-167(293-53-97(7)199(315)275-229(293)339)404-140(115)72-380-446(353,469)423-112-30-164(290-50-94(4)196(312)272-226(290)336)405-141(112)73-381-449(356,472)426-116-34-168(294-54-98(8)200(316)276-230(294)340)409-145(116)77-385-461(368,484)438-127-45-179(305-89-251-185-191(305)261-217(245)267-211(185)327)415-151(127)83-391-453(360,476)430-119-37-171(297-57-101(11)203(319)279-233(297)343)401-137(119)69-377-443(350,466)420-108-26-159(284-20-16-154(238)254-220(284)330)396-132(108)64-373-458(365,481)435-124-42-176(302-86-248-182-188(302)258-214(242)264-208(182)324)411-147(124)79-387-451(358,474)428-111-29-163(289-49-93(3)195(311)271-225(289)335)399-135(111)67-371-441(348,464)417-106-24-162(393-129(106)61-307)288-48-92(2)194(310)270-224(288)334/h15-22,47-60,85-90,105-152,157-180,307-308H,23-46,61-84H2,1-14H3,(H,347,463)(H,348,464)(H,349,465)(H,350,466)(H,351,467)(H,352,468)(H,353,469)(H,354,470)(H,355,471)(H,356,472)(H,357,473)(H,358,474)(H,359,475)(H,360,476)(H,361,477)(H,362,478)(H,363,479)(H,364,480)(H,365,481)(H,366,482)(H,367,483)(H,368,484)(H,369,485)(H2,237,253,329)(H2,238,254,330)(H2,239,255,331)(H2,240,256,332)(H,269,309,333)(H,270,310,334)(H,271,311,335)(H,272,312,336)(H,273,313,337)(H,274,314,338)(H,275,315,339)(H,276,316,340)(H,277,317,341)(H,278,318,342)(H,279,319,343)(H,280,320,344)(H,281,321,345)(H,282,322,346)(H3,241,257,263,323)(H3,242,258,264,324)(H3,243,259,265,325)(H3,244,260,266,326)(H3,245,261,267,327)(H3,246,262,268,328)/t105-,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+,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143+,144+,145+,146+,147+,148+,149+,150+,151+,152+,157+,158+,159+,160+,161+,162+,163+,164+,165+,166+,167+,168+,169+,170+,171+,172+,173+,174+,175+,176+,177+,178+,179+,180+,440?,441?,442?,443?,444?,445?,446?,447?,448?,449?,450?,451?,452?,453?,454?,455?,456?,457?,458?,459?,460?,461?,462?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C236H303N70O133P23S23
Molecular Weight 7698.32
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria 1 D008288 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2103792
FDA SRS 5V336PV3HG
CONTENTS