Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00RGL
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| Former ID |
DNC004346
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| Drug Name |
W-F-F-N--Y-Y-W
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C62H63N9O12
|
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| Canonical SMILES |
C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)N)C(<br />=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(C<br />C5=CNC6=CC=CC=C65)C(=O)O)NC(CC7=CNC8=CC=CC=C87)C(=O)O
|
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| InChI |
1S/C62H63N9O12/c63-55(74)33-52(70-58(77)49(28-37-13-5-2-6-14-37)67-56(75)48(27-36-11-3-1-4-12-36)66-53(61(80)81)31-40-34-64-46-17-9-7-15-44(40)46)60(79)69-50(29-38-19-23-42(72)24-20-38)57(76)68-51(30-39-21-25-43(73)26-22-39)59(78)71-54(62(82)83)32-41-35-65-47-18-10-8-16-45(41)47/h1-26,34-35,48-54,64-66,72-73H,27-33H2,(H2,63,74)(H,67,75)(H,68,76)(H,69,79)(H,70,77)(H,71,78)(H,80,81)(H,82,83)/t48-,49-,50-,51-,52-,53+,54-/m0/s1
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| InChIKey |
NXCOTRHNIBGFLM-ZYWWURNJSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Endothelin B receptor | Target Info | Inhibitor | [1] | |
| Endothelin-1 receptor | Target Info | Inhibitor | [1] | ||
| 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 1 | Res-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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