Details of the Drug

General Information of Drug (ID: DMHNDW5)

Drug Name

SPC-3

Synonyms

SPC3; Advantage S; 152926-57-3; UNII-9V01173SBJ; 9V01173SBJ; Synthetic Polymeric Construction No. 3; [GPGRAF]8-(K4)-(K2)-K-.beta.A; 3-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoic acid

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C261H403N87O57
Canonical SMILES: CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCCCCC(C(=O)NCCCCC(C(=O)NCCCCC(C(=O)NCCC(=O)O)NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C3CCCN3C(=O)CN)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C5CCCN5C(=O)CN)NC(=O)C(CCCCNC(=O)C(CC6=CC=CC=C6)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C7CCCN7C(=O)CN)NC(=O)C(CC8=CC=CC=C8)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C9CCCN9C(=O)CN)NC(=O)C(CCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CN)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)CN
InChI: 1S/C261H403N87O57/c1-151(310-231(383)171(86-47-110-294-254(270)271)318-198(349)143-302-246(398)190-94-55-119-341(190)206(357)135-262)215(367)333-182(127-159-63-17-9-18-64-159)227(379)289-106-42-35-80-168(328-242(394)186(131-163-71-25-13-26-72-163)337-219(371)155(5)314-235(387)175(90-51-114-298-258(278)279)322-202(353)147-306-250(402)194-98-59-123-345(194)210(361)139-266)224(376)287-104-40-33-79-167(326-240(392)180(331-244(396)188(133-165-75-29-15-30-76-165)339-221(373)157(7)316-237(389)177(92-53-116-300-260(282)283)324-204(355)149-308-252(404)196-100-61-125-347(196)212(363)141-268)84-38-45-108-291-229(381)184(129-161-67-21-11-22-68-161)335-217(369)153(3)312-233(385)173(88-49-112-296-256(274)275)320-200(351)145-304-248(400)192-96-57-121-343(192)208(359)137-264)223(375)286-103-41-34-82-170(226(378)293-118-102-214(365)366)327-239(391)179(330-241(393)181(332-245(397)189(134-166-77-31-16-32-78-166)340-222(374)158(8)317-238(390)178(93-54-117-301-261(284)285)325-205(356)150-309-253(405)197-101-62-126-348(197)213(364)142-269)85-39-46-109-292-230(382)185(130-162-69-23-12-24-70-162)336-218(370)154(4)313-234(386)174(89-50-113-297-257(276)277)321-201(352)146-305-249(401)193-97-58-122-344(193)209(360)138-265)83-37-44-105-288-225(377)169(329-243(395)187(132-164-73-27-14-28-74-164)338-220(372)156(6)315-236(388)176(91-52-115-299-259(280)281)323-203(354)148-307-251(403)195-99-60-124-346(195)211(362)140-267)81-36-43-107-290-228(380)183(128-160-65-19-10-20-66-160)334-216(368)152(2)311-232(384)172(87-48-111-295-255(272)273)319-199(350)144-303-247(399)191-95-56-120-342(191)207(358)136-263/h9-32,63-78,151-158,167-197H,33-62,79-150,262-269H2,1-8H3,(H,286,375)(H,287,376)(H,288,377)(H,289,379)(H,290,380)(H,291,381)(H,292,382)(H,293,378)(H,302,398)(H,303,399)(H,304,400)(H,305,401)(H,306,402)(H,307,403)(H,308,404)(H,309,405)(H,310,383)(H,311,384)(H,312,385)(H,313,386)(H,314,387)(H,315,388)(H,316,389)(H,317,390)(H,318,349)(H,319,350)(H,320,351)(H,321,352)(H,322,353)(H,323,354)(H,324,355)(H,325,356)(H,326,392)(H,327,391)(H,328,394)(H,329,395)(H,330,393)(H,331,396)(H,332,397)(H,333,367)(H,334,368)(H,335,369)(H,336,370)(H,337,371)(H,338,372)(H,339,373)(H,340,374)(H,365,366)(H4,270,271,294)(H4,272,273,295)(H4,274,275,296)(H4,276,277,297)(H4,278,279,298)(H4,280,281,299)(H4,282,283,300)(H4,284,285,301)/t151-,152-,153-,154-,155-,156-,157-,158-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-/m0/s1
InChIKey: SDVOJIRXJLEGCY-ZFRLFKIJSA-N

Cross-matching ID

PubChem CID: 16130243
CAS Number: 152926-57-3
TTD ID: D0N1EZ

References

1	ClinicalTrials.gov (NCT00002363) The Safety and Effectiveness of SPC3 in HIV-1 Infected Patients. U.S. National Institutes of Health.