Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Y8UY
|
||||
| Former ID |
DNC004331
|
||||
| Drug Name |
Ac-w-F-F-N-Y-Y-W
|
||||
| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D 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 | [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). | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.