Drug General Information
Drug ID
D0Y8UY
Former ID
DNC004331
Drug Name
Ac-w-F-F-N-Y-Y-W
Indication Discovery agent Investigative [551298]
Structure
Download
2D MOL

3D MOL

Formula
C63H65N9O11
Canonical SMILES
CC(=O)C(CC1=CNC2=CC=CC=C21)NC(CC3=CC=CC=C3)C(=O)NC(CC4=<br />CC=CC=C4)C(=O)NC(CC(=O)N)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)N<br />C(CC6=CC=C(C=C6)O)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)O
InChI
1S/C63H65N9O11/c1-37(73)50(32-42-35-65-48-18-10-8-16-46(42)48)67-51(28-38-12-4-2-5-13-38)58(77)68-52(29-39-14-6-3-7-15-39)60(79)71-55(34-57(64)76)62(81)70-53(30-40-20-24-44(74)25-21-40)59(78)69-54(31-41-22-26-45(75)27-23-41)61(80)72-56(63(82)83)33-43-36-66-49-19-11-9-17-47(43)49/h2-27,35-36,50-56,65-67,74-75H,28-34H2,1H3,(H2,64,76)(H,68,77)(H,69,78)(H,70,81)(H,71,79)(H,72,80)(H,82,83)/t50-,51+,52+,53+,54+,55+,56+/m1/s1
InChIKey
JNMRBSLUOYEORH-GMXKVRHKSA-N
PubChem Compound ID
Target and Pathway
Target(s) Endothelin B receptor Target Info Inhibitor [551298]
Endothelin-1 receptor Target Info Inhibitor [551298]
KEGG Pathway Calcium signaling pathway
cGMP-PKG signaling pathway
Neuroactive ligand-receptor interaction
Melanogenesis
Pathways in cancerhsa04020:Calcium signaling pathway
cAMP signaling pathway
Vascular smooth muscle contraction
Renin secretion
Pathways in cancer
NetPath Pathway IL4 Signaling Pathway
PANTHER Pathway Endothelin signaling pathwayP00019:Endothelin signaling pathway
Pathway Interaction Database Endothelins
Arf6 trafficking eventsendothelinpathway:Endothelins
EGFR-dependent Endothelin signaling events
Reactome Peptide ligand-binding receptors
G alpha (q) signalling eventsR-HSA-375276: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 signalingWP98:Prostaglandin Synthesis and Regulation
GPCR downstream signaling
GPCRs, Other
References
Ref 551298Res-701-1, synthesis and a reevaluation of its effects on the endothelin receptors, Bioorg. Med. Chem. Lett. 5(6):621-626 (1995).
Ref 551298Res-701-1, synthesis and a reevaluation of its effects on the endothelin receptors, Bioorg. Med. Chem. Lett. 5(6):621-626 (1995).

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