Drug Information

Drug General Information
Drug ID
D0R0OX
Former ID
DNC004721
Drug Name
Des-AA1,5-[Tyr2,D-Trp8,(NalphaMe)IAmp9]SRIF
Indication Discovery agent Investigative [527384]
Structure
Download
2D MOL

3D MOL
Formula
C84H107N15O17S2
Canonical SMILES
CC(C)NCC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(<br />C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C)<br />CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCCN)NC(=<br />O)C(CC7=CC=C(C=C7)O)N)C(=O)O)CO)C(C)O)CC8=CC=CC=C8)C(C)<br />O
InChI
1S/C84H107N15O17S2/c1-48(2)87-43-56-30-28-55(29-31-56)41-70-80(111)98-72(50(4)102)81(112)92-65(40-53-23-13-8-14-24-53)77(108)97-71(49(3)101)82(113)94-67(45-100)78(109)96-69(84(115)116)47-118-117-46-68(95-73(104)60(86)37-54-32-34-58(103)35-33-54)79(110)89-62(27-17-18-36-85)74(105)90-63(38-51-19-9-6-10-20-51)75(106)91-64(39-52-21-11-7-12-22-52)76(107)93-66(83(114)99(70)5)42-57-44-88-61-26-16-15-25-59(57)61/h6-16,19-26,28-35,44,48-50,60,62-72,87-88,100-103H,17-18,27,36-43,45-47,85-86H2,1-5H3,(H,89,110)(H,90,105)(H,91,106)(H,92,112)(H,93,107)(H,94,113)(H,95,104)(H,96,109)(H,97,108)(H,98,111)(H,115,116)/t49-,50-,60+,62-,63-,64+,65+,66+,67+,68-,69+,70+,71-,72-/m1/s1
InChIKey
MGQOSJMBSMGOOM-DNKCOYOSSA-N
PubChem Compound ID
44388102
Target and Pathway
Target(s) Somatostatin receptor 1 Target Info Inhibitor [527384]
Somatostatin receptor type 4 Target Info Inhibitor [527384]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways SIDS Susceptibility Pathways
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 527384J Med Chem. 2005 Jan 27;48(2):507-14.Somatostatin receptor 1 selective analogues: 2. N(alpha)-Methylated scan.
Ref 527384J Med Chem. 2005 Jan 27;48(2):507-14.Somatostatin receptor 1 selective analogues: 2. N(alpha)-Methylated scan.

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