Drug Information

Drug General Information
Drug ID
D00OLA
Former ID
DNC006417
Drug Name
H-[Trp-Arg-Nva-Arg-Tyr]3-NH2
Indication Discovery agent Investigative [528136]
Structure
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2D MOL

3D MOL
Formula
C111H159N37O18
Canonical SMILES
CCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC<br />(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC)C(=O<br />)NC(CCCN=C(N)N)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CC5=CNC6<br />=CC=CC=C65)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC)C(=O)NC(CCCN=<br />C(N)N)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)N)NC(=O)C(CCCN=C(N)N<br />)NC(=O)C(CC8=CNC9=CC=CC=C98)N
InChI
1S/C111H159N37O18/c1-4-19-77(136-96(157)80(28-13-46-126-106(114)115)135-92(153)73(112)55-64-58-132-74-25-10-7-22-70(64)74)94(155)140-84(32-17-50-130-110(122)123)100(161)145-87(53-62-36-42-68(150)43-37-62)102(163)148-90(57-66-60-134-76-27-12-9-24-72(66)76)105(166)143-82(30-15-48-128-108(118)119)98(159)138-79(21-6-3)95(156)141-85(33-18-51-131-111(124)125)101(162)146-88(54-63-38-44-69(151)45-39-63)103(164)147-89(56-65-59-133-75-26-11-8-23-71(65)75)104(165)142-81(29-14-47-127-107(116)117)97(158)137-78(20-5-2)93(154)139-83(31-16-49-129-109(120)121)99(160)144-86(91(113)152)52-61-34-40-67(149)41-35-61/h7-12,22-27,34-45,58-60,73,77-90,132-134,149-151H,4-6,13-21,28-33,46-57,112H2,1-3H3,(H2,113,152)(H,135,153)(H,136,157)(H,137,158)(H,138,159)(H,139,154)(H,140,155)(H,141,156)(H,142,165)(H,143,166)(H,144,160)(H,145,161)(H,146,162)(H,147,164)(H,148,163)(H4,114,115,126)(H4,116,117,127)(H4,118,119,128)(H4,120,121,129)(H4,122,123,130)(H4,124,125,131)/t73-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-/m0/s1
InChIKey
DRBRBJSYRQHXHE-TWUBVJIJSA-N
PubChem Compound ID
44409453
Target and Pathway
Target(s) Neuropeptide Y receptor type 1 Target Info Inhibitor [528136]
Neuropeptide Y receptor type 4 Target Info Inhibitor [528136]
Neuropeptide Y receptor type 2 Target Info Inhibitor [528136]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
NetPath Pathway FSH Signaling Pathway
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Endothelin Pathways
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 528136J Med Chem. 2006 Apr 20;49(8):2661-5.Neuropeptide Y (NPY) Y4 receptor selective agonists based on NPY(32-36): development of an anorectic Y4 receptor selective agonist with picomolar affinity.
Ref 528136J Med Chem. 2006 Apr 20;49(8):2661-5.Neuropeptide Y (NPY) Y4 receptor selective agonists based on NPY(32-36): development of an anorectic Y4 receptor selective agonist with picomolar affinity.

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