Drug Information

Drug General Information
Drug ID
D09PCB
Former ID
DNC012452
Drug Name
Compound RES-701-1(1-10)/[A15]SRTX6b
Indication Discovery agent Investigative [551320]
Formula
C116H147N29O28
Canonical SMILES
CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)C(C(C)C<br />)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)N)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(CC(C)C)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C8CC(=O)N<br />CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N9<br />CCCC9C(=O)N8)C)C(C)O)CC1=CNC=N1)CC1=CNC2=CC=CC=C21)CC(=<br />O)N
InChI
1S/C116H147N29O28/c1-10-59(6)97(113(169)141-88(116(172)173)42-67-50-123-76-28-19-16-25-73(67)76)144-112(168)96(58(4)5)143-110(166)87(47-95(153)154)139-101(157)77(34-35-90(117)148)131-107(163)84(44-69-52-120-56-127-69)132-99(155)60(7)128-102(158)79(38-63-21-12-11-13-22-63)134-104(160)80(39-64-30-32-70(147)33-31-64)135-103(159)78(37-57(2)3)133-105(161)81(40-65-48-121-74-26-17-14-23-71(65)74)137-109(165)86-46-92(150)124-53-93(151)130-85(45-91(118)149)108(164)136-82(41-66-49-122-75-27-18-15-24-72(66)75)106(162)138-83(43-68-51-119-55-126-68)100(156)125-54-94(152)142-98(62(9)146)114(170)129-61(8)115(171)145-36-20-29-89(145)111(167)140-86/h11-19,21-28,30-33,48-52,55-62,77-89,96-98,121-123,146-147H,10,20,29,34-47,53-54H2,1-9H3,(H2,117,148)(H2,118,149)(H,119,126)(H,120,127)(H,124,150)(H,125,156)(H,128,158)(H,129,170)(H,130,151)(H,131,163)(H,132,155)(H,133,161)(H,134,160)(H,135,159)(H,136,164)(H,137,165)(H,138,162)(H,139,157)(H,140,167)(H,141,169)(H,142,152)(H,143,166)(H,144,168)(H,153,154)(H,172,173)/t59-,60-,61-,62+,77-,78-,79-,80-,81-,82-,83+,84-,85+,86+,87-,88-,89+,96-,97-,98+/m0/s1
InChIKey
HVXXWNYSHBMHER-YBNDZOOFSA-N
PubChem Compound ID
44293192
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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