Drug Information

Drug General Information
Drug ID
D02OJQ
Former ID
DNC004724
Drug Name
Des-AA1,2,5-[D-Trp8,Tyr11]SRIF
Indication Discovery agent Investigative [527384]
Formula
C67H90N14O16S2
Canonical SMILES
CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O<br />)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=C<br />C=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CCCCN)N)C(=O)O)CO)C(C)O<br />)CC6=CC=C(C=C6)O)O
InChI
1S/C67H90N14O16S2/c1-37(83)55-65(94)77-51(31-41-23-25-43(85)26-24-41)63(92)81-56(38(2)84)66(95)78-53(34-82)64(93)79-54(67(96)97)36-99-98-35-45(70)57(86)72-47(21-11-13-27-68)58(87)74-49(29-39-15-5-3-6-16-39)60(89)75-50(30-40-17-7-4-8-18-40)61(90)76-52(32-42-33-71-46-20-10-9-19-44(42)46)62(91)73-48(59(88)80-55)22-12-14-28-69/h3-10,15-20,23-26,33,37-38,45,47-56,71,82-85H,11-14,21-22,27-32,34-36,68-70H2,1-2H3,(H,72,86)(H,73,91)(H,74,87)(H,75,89)(H,76,90)(H,77,94)(H,78,95)(H,79,93)(H,80,88)(H,81,92)(H,96,97)/t37-,38-,45-,47-,48+,49-,50+,51+,52+,53+,54+,55-,56-/m1/s1
InChIKey
NIVBKEGMFSFLSD-KGVPGVLISA-N
PubChem Compound ID
44388115
Target and Pathway
Target(s) Somatostatin receptor type 2 Target Info Inhibitor [527384]
Somatostatin receptor type 4 Target Info Inhibitor [527384]
Somatostatin receptor 1 Target Info Inhibitor [527384]
Somatostatin receptor type 3 Target Info Inhibitor [527384]
Somatostatin receptor type 5 Target Info Inhibitor [527384]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04080:Neuroactive ligand-receptor interactionhsa04024:cAMP signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interactionhsa04024:cAMP signaling pathway
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 signaling
GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP706:SIDS Susceptibility Pathways
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
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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