Therapeutic Targets Database
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TTD Drug ID: DNCL002147

Drug Information
NameGV1001
CompanyKAEL-GemVax
IndicationPancreatic CancerPhase I    
Structure

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InChI1S/C85H146N26O21/c1-12-47(8)65(81(130)111-38-22-30-63(111)78(127)
102-56(82(131)132)25-16-17-33-86)108-75(124)60(42-51-23-14-13-15-
24-51)106-70(119)53(26-18-34-94-83(88)89)99-72(121)58(40-45(4)5)1
04-71(120)54(27-19-35-95-84(90)91)100-79(128)66(50(11)113)109-76(
125)61(43-112)107-74(123)59(41-46(6)7)105-73(122)57(39-44(2)3)103
-68(117)49(10)98-77(126)62-29-21-37-110(62)80(129)55(28-20-36-96-
85(92)93)101-67(116)48(9)97-69(118)52(87)31-32-64(114)115/h13-15,
23-24,44-50,52-63,65-66,112-113H,12,16-22,25-43,86-87H2,1-11H3,(H
,97,118)(H,98,126)(H,99,121)(H,100,128)(H,101,116)(H,102,127)(H,1
03,117)(H,104,120)(H,105,122)(H,106,119)(H,107,123)(H,108,124)(H,
109,125)(H,114,115)(H,131,132)(H4,88,89,94)(H4,90,91,95)(H4,92,93
,96)/t47-,48-,49-,50+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-
,63-,65-,66-/m0/s1
InChIKeyYTSOUHWRRQDQIK-QAXVQDKQSA-N
Canonical SMILESCCC(C)C(C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C
(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(C(C)O)NC(=O)C(CO)
NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(CCCN=C(N)N)
NC(=O)C(C)NC(=O)C(CCC(=O)O)N    
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H]
(CC2=CC=CC=C2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]
(CCCN=C(N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC
(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCN=C(N)N)
NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)N
FormulaC85H146N26O21
PubChem Compound IDCID 56842118.



 

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