Drug Information

Drug General Information
Drug ID
D0L8TR
Former ID
DNC012429
Drug Name
Compound RES-701-1(1-10)/[A15]ET-1
Indication Discovery agent Investigative [551320]
Formula
C117H150N28O27
Canonical SMILES
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)<br />O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CNC=N3)NC(<br />=O)C(C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)O)NC(<br />=O)C(C(C)C)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C8CC(=O)NCC<br />(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N9CC<br />CC9C(=O)N8)C)C(C)O)CC1=CNC=N1)CC1=CNC2=CC=CC=C21)CC(=O)<br />N
InChI
1S/C117H150N28O27/c1-12-60(7)97(113(167)140-89(117(171)172)43-69-51-123-78-31-22-19-28-75(69)78)144-114(168)98(61(8)13-2)143-110(164)88(48-95(152)153)137-103(157)79(38-58(3)4)132-106(160)85(45-71-53-120-57-127-71)131-100(154)62(9)128-102(156)80(39-65-24-15-14-16-25-65)133-104(158)81(40-66-33-35-72(147)36-34-66)139-112(166)96(59(5)6)142-109(163)83(42-68-50-122-77-30-21-18-27-74(68)77)135-108(162)87-47-92(149)124-54-93(150)130-86(46-91(118)148)107(161)134-82(41-67-49-121-76-29-20-17-26-73(67)76)105(159)136-84(44-70-52-119-56-126-70)101(155)125-55-94(151)141-99(64(11)146)115(169)129-63(10)116(170)145-37-23-32-90(145)111(165)138-87/h14-22,24-31,33-36,49-53,56-64,79-90,96-99,121-123,146-147H,12-13,23,32,37-48,54-55H2,1-11H3,(H2,118,148)(H,119,126)(H,120,127)(H,124,149)(H,125,155)(H,128,156)(H,129,169)(H,130,150)(H,131,154)(H,132,160)(H,133,158)(H,134,161)(H,135,162)(H,136,159)(H,137,157)(H,138,165)(H,139,166)(H,140,167)(H,141,151)(H,142,163)(H,143,164)(H,144,168)(H,152,153)(H,171,172)/t60-,61-,62-,63-,64+,79-,80-,81-,82-,83-,84+,85-,86+,87+,88-,89-,90+,96-,97-,98-,99+/m0/s1
InChIKey
ANPDUOIMKGXBLS-BDYQLCBVSA-N
PubChem Compound ID
44293133
Target and Pathway
Target(s) Endothelin B receptor Target Info Inhibitor [551320]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Melanogenesis
Pathways in cancer
PANTHER Pathway Endothelin signaling pathway
Pathway Interaction Database Endothelins
Arf6 trafficking events
Reactome Peptide ligand-binding receptors
G alpha (q) signalling events
WikiPathways Prostaglandin Synthesis and Regulation
GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
Endothelin Pathways
GPCR ligand binding
GPCR downstream signaling
References
Ref 551320RES-701-1/endothelin-1 hybrid peptide having a potent binding activity for type B receptor, Bioorg. Med. Chem. Lett. 7(13):1715-1720 (1997).
Ref 551320RES-701-1/endothelin-1 hybrid peptide having a potent binding activity for type B receptor, Bioorg. Med. Chem. Lett. 7(13):1715-1720 (1997).

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