Therapeutic Targets Database
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TTD Drug ID: DNC005536

Drug Information
NameAc-YR[CEH(d-2alpha-Nal)RWC]-NH2
IndicationNot AvailableExperimental    
Structure

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InChI1S/C64H81N19O13S2/c1-34(84)75-47(25-35-15-18-41(85)19-16-35)58(92
)76-45(13-7-23-72-64(68)69)56(90)83-52-32-98-97-31-51(54(65)88)82
-60(94)49(27-39-29-73-43-11-5-4-10-42(39)43)80-55(89)44(12-6-22-7
1-63(66)67)77-59(93)48(26-36-14-17-37-8-2-3-9-38(37)24-36)79-61(9
5)50(28-40-30-70-33-74-40)81-57(91)46(78-62(52)96)20-21-53(86)87/
h2-5,8-11,14-19,24,29-30,33,44-52,73,85H,6-7,12-13,20-23,25-28,31
-32H2,1H3,(H2,65,88)(H,70,74)(H,75,84)(H,76,92)(H,77,93)(H,78,96)
(H,79,95)(H,80,89)(H,81,91)(H,82,94)(H,83,90)(H,86,87)(H4,66,67,7
1)(H4,68,69,72)/t44-,45-,46+,47-,48-,49+,50-,51+,52+/m0/s1
InChIKeyLZYYGZAXFMYSBE-UHFDWKIASA-N
Canonical SMILESCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC2CSSCC(NC(=O)C(NC(=O)
C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCC(=O)O)CC3=CNC=N3)CC4=CC5=CC=CC=C5C=
C4)CCCN=C(N)N)CC6=CNC7=CC=CC=C76)C(=O)N    
Isomeric SMILESCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]2CSSC
[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]
(NC2=O)CCC(=O)O)CC3=CNC=N3)CC4=CC5=CC=CC=C5C=C4)CCCN=C(N)N)CC6=CNC7=CC=
CC=C76)C(=O)N
TargetMelanocortin receptor 1Inhibitor[1]
Melanocortin receptor 3Inhibitor[1]
Melanocortin receptor 4Inhibitor[1]
Melanocortin receptor 5Inhibitor[1]
Ref 1J Med Chem. 2005 May 5;48(9):3095-8.Discovery of a beta-MSH-derived MC-4R selective agonist. To Reference



 

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