Drug Information

Drug General Information
Drug ID
D00OSB
Former ID
DNC005599
Drug Name
Ala7-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(C(=O)NC(C(=O)NC(C(=O)NC(C(=O<br />)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)<br />CC(=O)N)CCCCN)NC(=O)CNC(=O)C(C)N)C(=O)N)CO)C(C)O)CC3=CC<br />=CC=C3)C(C)O)CCCCN)CC4=CNC5=CC=CC=C54
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)89-66(103)48(28-41-19-9-6-10-20-41)85-69(106)56(38(3)91)88-62(99)46(24-14-16-26-72)80-64(101)49(29-42-31-76-44-22-12-11-21-43(42)44)82-60(97)37(2)78-63(100)47(27-40-17-7-5-8-18-40)83-65(102)50(30-54(74)93)84-61(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,78,100)(H,79,94)(H,80,101)(H,81,105)(H,82,97)(H,83,102)(H,84,98)(H,85,106)(H,86,107)(H,87,104)(H,88,99)(H,89,103)/t36-,37+,38?,39?,45-,46+,47-,48-,49-,50+,51-,52-,53-,56+,57+/m0/s1
InChIKey
IMPCJRRYNLCKNP-IORPGQRLSA-N
PubChem Compound ID
44400676
Target and Pathway
Target(s) Somatostatin receptor type 2 Target Info Inhibitor [527585]
KEGG Pathway cAMP signaling pathway
Neuroactive ligand-receptor interaction
Gastric acid secretion
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 pathway
Reactome 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, Other
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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