Details of the Drug

General Information of Drug (ID: DM6JCR1)

Drug Name

VIR-576

Synonyms

VIR-576; Mutant of Virus-inhibitory peptide(VIRIP), NH2-Leu-Glu-Ala-Ile-Pro-Cys(x1)-Ser-Ile-Pro-Pro-Glu-Phe-Leu-Phe-Gly-Lys-Pro-Phe-Val-Phe-Leu-Glu-Ala-Ile-Pro-Cys(x1)-Ser-Ile-Pro-Pro-Glu-Phe-Leu-Phe-Gly-Lys-Pro-Phe-Val-Phe-COOH

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Phase 1/2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C224H322N42O51S2
Canonical SMILES: CCC(C)C1C(=O)N2CCCC2C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N4CCCC4C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5CCCC5C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C)CCC(=O)O)CC(C)C)CC6=CC=CC=C6)C(C)C)CC7=CC=CC=C7)CCCCN)CC8=CC=CC=C8)CC(C)C)CC9=CC=CC=C9)CCC(=O)O)C(C)CC)CO)NC(=O)C1CCCN1C(=O)C(C(C)CC)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)N)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)O
InChI: 1S/C224H322N42O51S2/c1-23-131(17)183(255-187(279)135(21)230-192(284)146(89-93-177(271)272)234-189(281)145(227)107-125(5)6)220(312)263-103-59-85-171(263)212(304)251-165-123-318-319-124-166(207(299)250-164(122-268)205(297)258-186(134(20)26-4)223(315)266-106-62-88-174(266)219(311)262-102-58-84-170(262)209(301)237-149(92-96-180(277)278)195(287)244-158(114-140-69-41-30-42-70-140)200(292)240-154(110-128(11)12)198(290)242-156(112-138-65-37-28-38-66-138)191(283)229-120-176(270)233-151(80-52-54-98-226)217(309)260-100-56-82-168(260)211(303)246-161(117-143-75-47-33-48-76-143)203(295)254-182(130(15)16)215(307)248-162(224(316)317)118-144-77-49-34-50-78-144)252-213(305)172-86-60-104-264(172)221(313)184(132(18)24-2)256-188(280)136(22)231-193(285)147(90-94-178(273)274)235-196(288)152(108-126(7)8)238-201(293)159(115-141-71-43-31-44-72-141)247-214(306)181(129(13)14)253-202(294)160(116-142-73-45-32-46-74-142)245-210(302)167-81-55-99-259(167)216(308)150(79-51-53-97-225)232-175(269)119-228-190(282)155(111-137-63-35-27-36-64-137)241-197(289)153(109-127(9)10)239-199(291)157(113-139-67-39-29-40-68-139)243-194(286)148(91-95-179(275)276)236-208(300)169-83-57-101-261(169)218(310)173-87-61-105-265(173)222(314)185(133(19)25-3)257-204(296)163(121-267)249-206(165)298/h27-50,63-78,125-136,145-174,181-186,267-268H,23-26,51-62,79-124,225-227H2,1-22H3,(H,228,282)(H,229,283)(H,230,284)(H,231,285)(H,232,269)(H,233,270)(H,234,281)(H,235,288)(H,236,300)(H,237,301)(H,238,293)(H,239,291)(H,240,292)(H,241,289)(H,242,290)(H,243,286)(H,244,287)(H,245,302)(H,246,303)(H,247,306)(H,248,307)(H,249,298)(H,250,299)(H,251,304)(H,252,305)(H,253,294)(H,254,295)(H,255,279)(H,256,280)(H,257,296)(H,258,297)(H,271,272)(H,273,274)(H,275,276)(H,277,278)(H,316,317)/t131-,132-,133-,134-,135-,136-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,181-,182-,183-,184-,185-,186-/m0/s1
InChIKey: QMLQPHUSDUODMB-MFQMBSFASA-N

Cross-matching ID

PubChem CID: 16729392
TTD ID: D0Y3AG

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800032088)