Drug Information

Drug General Information
Drug ID
D07DUF
Former ID
DNC004728
Drug Name
Des-AA1,2,5-[D-Nal8,IAmp9]SRIF
Indication Discovery agent Investigative [527384]
Structure
Download
2D MOL

3D MOL
Formula
C76H97N13O15S2
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)N2)C<br />C3=CC4=CC=CC=C4C=C3)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCCN)N)C<br />(=O)O)CO)C(C)O)CC7=CC=CC=C7)C(C)O
InChI
1S/C76H97N13O15S2/c1-44(2)79-40-51-29-27-50(28-30-51)38-59-71(98)88-64(45(3)91)74(101)85-60(37-49-22-12-7-13-23-49)72(99)89-65(46(4)92)75(102)86-62(41-90)73(100)87-63(76(103)104)43-106-105-42-55(78)66(93)80-56(26-16-17-33-77)67(94)81-57(35-47-18-8-5-9-19-47)68(95)82-58(36-48-20-10-6-11-21-48)69(96)84-61(70(97)83-59)39-52-31-32-53-24-14-15-25-54(53)34-52/h5-15,18-25,27-32,34,44-46,55-65,79,90-92H,16-17,26,33,35-43,77-78H2,1-4H3,(H,80,93)(H,81,94)(H,82,95)(H,83,97)(H,84,96)(H,85,101)(H,86,102)(H,87,100)(H,88,98)(H,89,99)(H,103,104)/t45-,46-,55-,56-,57-,58+,59+,60+,61+,62+,63+,64-,65-/m1/s1
InChIKey
VQFBJGSUDSOXIC-MKQNODHSSA-N
PubChem Compound ID
44388130
Target and Pathway
Target(s) Somatostatin receptor 1 Target Info Inhibitor [527384]
KEGG Pathway cAMP signaling pathway
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 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
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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