Drug Information

Drug General Information
Drug ID
D0S7YR
Former ID
DNC004720
Drug Name
Des-AA1,5-[Tyr2,D-Trp8,IAmp9]SRIF CH-288
Indication Discovery agent Investigative [527385]
Structure
Download
2D MOL

3D MOL
Formula
C83H105N15O17S2
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=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)CCCCN)NC(=O<br />)C(CC7=CC=C(C=C7)O)N)C(=O)O)CO)C(C)O)CC8=CC=CC=C8)C(C)O
InChI
1S/C83H105N15O17S2/c1-47(2)86-42-55-29-27-54(28-30-55)40-64-77(108)97-70(48(3)100)81(112)93-65(39-52-22-12-7-13-23-52)78(109)98-71(49(4)101)82(113)94-67(44-99)79(110)96-69(83(114)115)46-117-116-45-68(95-72(103)59(85)36-53-31-33-57(102)34-32-53)80(111)88-61(26-16-17-35-84)73(104)89-62(37-50-18-8-5-9-19-50)74(105)90-63(38-51-20-10-6-11-21-51)75(106)92-66(76(107)91-64)41-56-43-87-60-25-15-14-24-58(56)60/h5-15,18-25,27-34,43,47-49,59,61-71,86-87,99-102H,16-17,26,35-42,44-46,84-85H2,1-4H3,(H,88,111)(H,89,104)(H,90,105)(H,91,107)(H,92,106)(H,93,112)(H,94,113)(H,95,103)(H,96,110)(H,97,108)(H,98,109)(H,114,115)/t48-,49-,59+,61-,62-,63+,64+,65+,66+,67+,68-,69+,70-,71-/m1/s1
InChIKey
UKGIKHPFMXOGRF-UXDQVZPXSA-N
PubChem Compound ID
44388059
Target and Pathway
Target(s) Somatostatin receptor 1 Target Info Inhibitor [527385]
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 527385J Med Chem. 2005 Jan 27;48(2):515-22.Somatostatin receptor 1 selective analogues: 3. Dicyclic peptides.
Ref 527385J Med Chem. 2005 Jan 27;48(2):515-22.Somatostatin receptor 1 selective analogues: 3. Dicyclic peptides.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.