Therapeutic Targets Database
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TTD Drug ID: DNC001402

Drug Information
NameT-1249
IndicationNot AvailableExperimental    
Structure

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Click to save drug structure in 2D MOL format
InChI1S/C235H341N57O67/c1-20-120(13)194(290-218(342)155(69-83-184(246)
303)258-198(322)122(15)254-201(325)149(63-77-178(240)297)263-211(
335)157(71-85-187(307)308)270-221(345)166(97-117(7)8)280-222(346)
164(95-115(3)4)277-199(323)124(17)256-235(359)196(125(18)294)292-
234(358)195(121(14)21-2)291-217(341)148(58-38-42-94-239)261-205(3
29)150(64-78-179(241)298)265-212(336)158(72-86-188(309)310)272-22
7(351)172(104-131-111-251-142-52-32-27-47-137(131)142)284-215(339
)159(73-87-189(311)312)267-208(332)153(67-81-182(244)301)269-226(
350)170(257-126(19)295)102-129-109-249-140-50-30-25-45-135(129)14
0)233(357)275-154(68-82-183(245)302)209(333)264-151(65-79-180(242
)299)207(331)266-156(70-84-186(305)306)210(334)260-146(56-36-40-9
2-237)204(328)287-175(107-185(247)304)230(354)274-161(75-89-191(3
15)316)214(338)282-169(101-128-59-61-134(296)62-60-128)225(349)27
1-160(74-88-190(313)314)213(337)279-165(96-116(5)6)220(344)268-15
2(66-80-181(243)300)206(330)259-145(55-35-39-91-236)202(326)278-1
67(98-118(9)10)224(348)288-176(108-193(319)320)231(355)262-147(57
-37-41-93-238)203(327)283-171(103-130-110-250-141-51-31-26-46-136
(130)141)219(343)255-123(16)200(324)289-177(114-293)232(356)281-1
68(99-119(11)12)223(347)286-173(105-132-112-252-143-53-33-28-48-1
38(132)143)228(352)273-162(76-90-192(317)318)216(340)285-174(106-
133-113-253-144-54-34-29-49-139(133)144)229(353)276-163(197(248)3
21)100-127-43-23-22-24-44-127/h22-34,43-54,59-62,109-113,115-125,
145-177,194-196,249-253,293-294,296H,20-21,35-42,55-58,63-108,114
,236-239H2,1-19H3,(H2,240,297)(H2,241,298)(H2,242,299)(H2,243,300
)(H2,244,301)(H2,245,302)(H2,246,303)(H2,247,304)(H2,248,321)(H,2
54,325)(H,255,343)(H,256,359)(H,257,295)(H,258,322)(H,259,330)(H,
260,334)(H,261,329)(H,262,355)(H,263,335)(H,264,333)(H,265,336)(H
,266,331)(H,267,332)(H,268,344)(H,269,350)(H,270,345)(H,271,349)(
H,272,351)(H,273,352)(H,274,354)(H,275,357)(H,276,353)(H,277,323)
(H,278,326)(H,279,337)(H,280,346)(H,281,356)(H,282,338)(H,283,327
)(H,284,339)(H,285,340)(H,286,347)(H,287,328)(H,288,348)(H,289,32
4)(H,290,342)(H,291,341)(H,292,358)(H,305,306)(H,307,308)(H,309,3
10)(H,311,312)(H,313,314)(H,315,316)(H,317,318)(H,319,320)/t120-,
121-,122-,123-,124-,125+,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-,175-,176-,177-,194-,
195-,196-/m0/s1
InChIKeyZFEAMMNVDPDEGE-LGRGJMMZSA-N
Canonical SMILESCCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC
(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC
(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C
(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(C)C(=O)
NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCC(=O)O)C(=O)NC
(CC6=CNC7=CC=CC=C76)C(=O)NC(CC8=CC=CC=C8)C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C
(C)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=
O)C(C)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)
C(CCC(=O)O)NC(=O)C(CC9=CNC1=CC=CC=C19)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)
NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C    
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@
H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)
O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)
C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@
@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@
@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CNC5=CC=CC=
C54)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H]
(CC8=CC=CC=C8)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC
(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)
[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]
(CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC9=CNC1=
CC=CC=C19)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=
CNC2=CC=CC=C21)NC(=O)C
CAS NumberCAS 251562-00-2
PubChem Compound IDCID 16130644.
PubChem Substance IDSID 645426.
TargetTransmembrane glycoprotein gp41Inhibitor[1]
Ref 1HIV entry inhibitors in clinical development. Curr Opin Pharmacol. 2002 Oct;2(5):523-8. To Reference



 

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