Therapeutic Targets Database
BIDD Pharmainformatics Databases
 
   
   

 

TTD Drug ID: DNC009365

Drug Information
NameH-Arg-Arg-Pro-Tyr-Ile-Aac-OH
IndicationNot AvailableExperimental    
Structure

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InChI1S/C43H68N12O8/c1-3-23(2)34(38(60)54-43(40(62)63)27-18-25-17-26(2
0-27)21-28(43)19-25)53-36(58)32(22-24-10-12-29(56)13-11-24)52-37(
59)33-9-6-16-55(33)39(61)31(8-5-15-50-42(47)48)51-35(57)30(44)7-4
-14-49-41(45)46/h10-13,23,25-28,30-34,56H,3-9,14-22,44H2,1-2H3,(H
,51,57)(H,52,59)(H,53,58)(H,54,60)(H,62,63)(H4,45,46,49)(H4,47,48
,50)/t23-,25?,26?,27?,28?,30-,31-,32-,33-,34-,43?/m0/s1
InChIKeyCMCIRTPGPAKLJS-YTNDVNQYSA-N
Canonical SMILESCCC(C)C(C(=O)NC1(C2CC3CC(C2)CC1C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)
C5CCCN5C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N    
Isomeric SMILESCC[C@H](C)[C@@H](C(=O)NC1(C2CC3CC(C2)CC1C3)C(=O)O)NC(=O)[C@H](CC4=CC=C
(C=C4)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N
TargetNeurotensin receptor 1Inhibitor[1]
Ref 1Bioorg Med Chem. 2008 Oct 15;16(20):9359-68. Epub 2008 Aug 27.Novel insights into GPCR-peptide interactions: mutations in extracellular loop 1, ligand backbone methylations and molecular modeling of neurotensin receptor 1. To Reference



 

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