Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNC008091

Drug Information
Namec[CO-2,3-pyrazine-CO-D-Nal(2)-Arg-Trp-Lys]-NH2
IndicationNot AvailableExperimental    
Structure

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Click to save drug structure in 2D MOL format
InChI1S/C42H48N12O6/c43-36(55)30-12-5-6-16-48-40(59)34-35(47-19-18-46-
34)41(60)54-32(21-24-14-15-25-8-1-2-9-26(25)20-24)38(57)52-31(13-
7-17-49-42(44)45)37(56)53-33(39(58)51-30)22-27-23-50-29-11-4-3-10
-28(27)29/h1-4,8-11,14-15,18-20,23,30-33,50H,5-7,12-13,16-17,21-2
2H2,(H2,43,55)(H,48,59)(H,51,58)(H,52,57)(H,53,56)(H,54,60)(H4,44
,45,49)/t30-,31-,32+,33-/m0/s1
InChIKeyYIHQUVPRWHIYHB-SSNHPIBPSA-N
Canonical SMILESC1CCNC(=O)C2=NC=CN=C2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C1)C(=O)N)CC3=CNC4=
CC=CC=C43)CCCN=C(N)N)CC5=CC6=CC=CC=C6C=C5    
Isomeric SMILESC1CCNC(=O)C2=NC=CN=C2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]
(C1)C(=O)N)CC3=CNC4=CC=CC=C43)CCCN=C(N)N)CC5=CC6=CC=CC=C6C=C5
TargetMelanocortin receptor 1Inhibitor[1]
Melanocortin receptor 3Inhibitor[1]
Melanocortin receptor 5Inhibitor[1]
Ref 1J Med Chem. 2008 Jan 24;51(2):187-95. Epub 2007 Dec 19.Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor. To Reference



 

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