Drug General Information
Drug ID
D06OSN
Former ID
DNC004351
Drug Name
Bhg-F-N-Y-Y-W
Indication Discovery agent Investigative [551298]
Structure
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2D MOL

3D MOL

Formula
C59H60N8O10
Canonical SMILES
C1CC2=CC=CC=C2C(C3=CC=CC=C31)C(C(=O)NC(CC4=CC=CC=C4)C(=<br />O)NC(CC(=O)N)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CC6=CC=C(C<br />=C6)O)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)O)N
InChI
1S/C59H60N8O10/c60-51(70)32-49(65-55(72)48(28-34-10-2-1-3-11-34)66-58(75)53(61)52-43-15-6-4-12-37(43)22-23-38-13-5-7-16-44(38)52)57(74)64-46(29-35-18-24-40(68)25-19-35)54(71)63-47(30-36-20-26-41(69)27-21-36)56(73)67-50(59(76)77)31-39-33-62-45-17-9-8-14-42(39)45/h1-21,24-27,33,46-50,52-53,62,68-69H,22-23,28-32,61H2,(H2,60,70)(H,63,71)(H,64,74)(H,65,72)(H,66,75)(H,67,73)(H,76,77)/t46-,47-,48-,49-,50-,53-/m0/s1
InChIKey
ODHKJPGCAWIPPT-ZQJLCUDRSA-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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