Drug Information

Drug General Information
Drug ID
D08VVC
Former ID
DNC011824
Drug Name
N,N-dibenzyl[D-Pro-10]Dyn A-(1-11)
Indication Discovery agent Investigative [534450]
Structure
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2D MOL

3D MOL
Formula
C77H115N21O13
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)N(CC4=CC=CC=C4)CC5=CC=CC=C5
InChI
1S/C77H115N21O13/c1-5-49(4)65(72(108)93-57(30-19-39-87-77(83)84)73(109)98-40-20-31-61(98)71(107)94-58(74(110)111)27-15-16-36-78)96-67(103)56(29-18-38-86-76(81)82)91-66(102)55(28-17-37-85-75(79)80)92-68(104)59(41-48(2)3)95-69(105)60(42-50-21-9-6-10-22-50)90-64(101)45-88-63(100)44-89-70(106)62(43-51-32-34-54(99)35-33-51)97(46-52-23-11-7-12-24-52)47-53-25-13-8-14-26-53/h6-14,21-26,32-35,48-49,55-62,65,99H,5,15-20,27-31,36-47,78H2,1-4H3,(H,88,100)(H,89,106)(H,90,101)(H,91,102)(H,92,104)(H,93,108)(H,94,107)(H,95,105)(H,96,103)(H,110,111)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t49-,55-,56-,57-,58-,59-,60-,61-,62-,65-/m0/s1
InChIKey
OHPCANLMUJRLSF-GOWLZWIFSA-N
PubChem Compound ID
44325184
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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