Drug Information

Drug General Information
Drug ID
D0I3AH
Former ID
DNC011827
Drug Name
N-benzyl[D-Pro-10]Dyn A-(1-11)
Indication Discovery agent Investigative [534450]
Structure
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2D MOL

3D MOL
Formula
C70H109N21O13
Canonical SMILES
CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(<br />=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C<br />)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(<br />C=C3)O)NCC4=CC=CC=C4
InChI
1S/C70H109N21O13/c1-5-43(4)58(65(101)87-50(25-16-34-80-70(76)77)66(102)91-35-17-26-55(91)64(100)88-51(67(103)104)22-12-13-31-71)90-61(97)49(24-15-33-79-69(74)75)85-60(96)48(23-14-32-78-68(72)73)86-62(98)53(36-42(2)3)89-63(99)54(38-44-18-8-6-9-19-44)84-57(94)41-82-56(93)40-83-59(95)52(37-45-27-29-47(92)30-28-45)81-39-46-20-10-7-11-21-46/h6-11,18-21,27-30,42-43,48-55,58,81,92H,5,12-17,22-26,31-41,71H2,1-4H3,(H,82,93)(H,83,95)(H,84,94)(H,85,96)(H,86,98)(H,87,101)(H,88,100)(H,89,99)(H,90,97)(H,103,104)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,58-/m0/s1
InChIKey
SCUDNMPTYPZVCN-RSZDUZASSA-N
PubChem Compound ID
44325182
Target and Pathway
Target(s) Kappa-type opioid receptor Target Info Inhibitor [534450]
KEGG 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
Opioid prodynorphin pathway
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 534450J Med Chem. 1997 Aug 15;40(17):2733-9.Synthesis and opioid activity of [D-Pro10]dynorphin A-(1-11) analogues with N-terminal alkyl substitution.
Ref 534450J Med Chem. 1997 Aug 15;40(17):2733-9.Synthesis and opioid activity of [D-Pro10]dynorphin A-(1-11) analogues with N-terminal alkyl substitution.

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