Drug Information

Drug General Information
Drug ID
D03ATH
Former ID
DNC012318
Drug Name
RES-701-1
Indication Discovery agent Terminated [540541], [546314]
Structure
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2D MOL

3D MOL
Formula
C103H115N23O23
Canonical SMILES
CC1C(=O)N2CCCC2C(=O)NC(CC(=O)NCC(=O)NC(CC(=O)NC(C(=O)NC<br />(C(=O)NCC(=O)NC(C(=O)N1)C(C)O)CC3=CN=CN3)CC4=CNC5=CC=CC<br />=C54)C(=O)N)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)NC(CC8=CC=C<br />C=C8)C(=O)NC(CC9=CC=CC=C9)C(=O)NC(CC(=O)N)C(=O)NC(CC1=C<br />C=C(C=C1)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC1=CNC2=CC=<br />CC=C21)C(=O)O
InChI
1S/C103H115N23O23/c1-54-102(147)126-35-15-26-83(126)100(145)123-81(46-85(131)110-51-87(133)114-72(90(105)135)45-86(132)115-77(40-60-47-107-69-23-12-9-20-66(60)69)96(141)121-79(43-63-50-106-53-112-63)91(136)111-52-88(134)125-89(55(2)127)101(146)113-54)99(144)120-78(41-61-48-108-70-24-13-10-21-67(61)70)97(142)118-73(36-56-16-5-3-6-17-56)92(137)116-74(37-57-18-7-4-8-19-57)94(139)122-80(44-84(104)130)98(143)119-75(38-58-27-31-64(128)32-28-58)93(138)117-76(39-59-29-33-65(129)34-30-59)95(140)124-82(103(148)149)42-62-49-109-71-25-14-11-22-68(62)71/h3-14,16-25,27-34,47-50,53-55,72-83,89,107-109,127-129H,15,26,35-46,51-52H2,1-2H3,(H2,104,130)(H2,105,135)(H,106,112)(H,110,131)(H,111,136)(H,113,146)(H,114,133)(H,115,132)(H,116,137)(H,117,138)(H,118,142)(H,119,143)(H,120,144)(H,121,141)(H,122,139)(H,123,145)(H,124,140)(H,125,134)(H,148,149)/t54-,55+,72?,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-/m0/s1
InChIKey
GKJHBAGJUMHZCI-WOMVBXCFSA-N
PubChem Compound ID
16131113
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 540541(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3911).
Ref 546314Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007396)
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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