Drug Information

Drug General Information
Drug ID
D0A1XX
Former ID
DNC004723
Drug Name
Des-AA1,5-[Tyr2,D-Trp8,(NalphaMe)IAmp9]Cbm-SRIF
Indication Discovery agent Investigative [527384]
Structure
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2D MOL

3D MOL
Formula
C84H108N16O16S2
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)N)CO)C(C)O)CC8=CC=CC=C8)C(C)<br />O
InChI
1S/C84H108N16O16S2/c1-48(2)88-43-56-30-28-55(29-31-56)41-70-81(113)99-72(50(4)103)82(114)93-65(40-53-23-13-8-14-24-53)78(110)98-71(49(3)102)83(115)95-67(45-101)79(111)96-68(73(87)105)46-117-118-47-69(97-74(106)60(86)37-54-32-34-58(104)35-33-54)80(112)90-62(27-17-18-36-85)75(107)91-63(38-51-19-9-6-10-20-51)76(108)92-64(39-52-21-11-7-12-22-52)77(109)94-66(84(116)100(70)5)42-57-44-89-61-26-16-15-25-59(57)61/h6-16,19-26,28-35,44,48-50,60,62-72,88-89,101-104H,17-18,27,36-43,45-47,85-86H2,1-5H3,(H2,87,105)(H,90,112)(H,91,107)(H,92,108)(H,93,114)(H,94,109)(H,95,115)(H,96,111)(H,97,106)(H,98,110)(H,99,113)/t49-,50-,60+,62-,63-,64+,65+,66+,67+,68+,69-,70+,71-,72-/m1/s1
InChIKey
UTASAEBFJXWNHX-PIBSBZCFSA-N
PubChem Compound ID
44388113
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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