Drug Information

Drug General Information
Drug ID
D0GN3M
Former ID
DNC005597
Drug Name
Ala11-SRIF-14-amide
Indication Discovery agent Investigative [527585]
Structure
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2D MOL

3D MOL
Formula
C70H101N19O18S2
Canonical SMILES
CC1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)N<br />C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)O)CCCCN)C<br />C2=CNC3=CC=CC=C32)CC4=CC=CC=C4)CC5=CC=CC=C5)CC(=O)N)CCC<br />CN)NC(=O)CNC(=O)C(C)N)C(=O)N)CO)C(C)O
InChI
1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)88-60(97)37(2)78-69(106)56(38(3)91)89-62(99)46(24-14-16-26-72)80-65(102)49(29-42-31-76-44-22-12-11-21-43(42)44)84-64(101)48(28-41-19-9-6-10-20-41)82-63(100)47(27-40-17-7-5-8-18-40)83-66(103)50(30-54(74)93)85-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,106)(H,79,94)(H,80,102)(H,81,105)(H,82,100)(H,83,103)(H,84,101)(H,85,98)(H,86,107)(H,87,104)(H,88,97)(H,89,99)/t36-,37-,38?,39?,45-,46+,47-,48+,49-,50+,51-,52-,53-,56+,57+/m0/s1
InChIKey
DWTUVBZITHQYDR-CFWAKGAOSA-N
PubChem Compound ID
44400605
Target and Pathway
Target(s) Somatostatin receptor type 2 Target Info Inhibitor [527585]
Somatostatin receptor type 4 Target Info Inhibitor [527585]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretionhsa04080: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 signaling
GPCRs, OtherWP455:GPCRs, Class A Rhodopsin-like
References
Ref 527585J Med Chem. 2005 Jun 16;48(12):4025-30.Replacement of Phe6, Phe7, and Phe11 of D-Trp8-somatostatin-14 with L-pyrazinylalanine. Predicted and observed effects on binding affinities at hSST2 and hSST4.An unexpected effect of the chirality of Trp8 on NMR spectra in methanol.
Ref 527585J Med Chem. 2005 Jun 16;48(12):4025-30.Replacement of Phe6, Phe7, and Phe11 of D-Trp8-somatostatin-14 with L-pyrazinylalanine. Predicted and observed effects on binding affinities at hSST2 and hSST4.An unexpected effect of the chirality of Trp8 on NMR spectra in methanol.

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