Drug Information

Drug General Information
Drug ID
D0GX3K
Former ID
DNC011802
Drug Name
N,N-diallyl[D-Pro-10]Dyn A-(1-11)
Indication Discovery agent Investigative [534450]
Structure
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2D MOL

3D MOL
Formula
C69H111N21O13
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(CC=C)CC=C
InChI
1S/C69H111N21O13/c1-7-34-89(35-8-2)54(39-45-26-28-46(91)29-27-45)62(98)81-40-55(92)80-41-56(93)82-52(38-44-19-11-10-12-20-44)61(97)87-51(37-42(4)5)60(96)84-47(22-15-31-77-67(71)72)58(94)83-48(23-16-32-78-68(73)74)59(95)88-57(43(6)9-3)64(100)85-49(24-17-33-79-69(75)76)65(101)90-36-18-25-53(90)63(99)86-50(66(102)103)21-13-14-30-70/h7-8,10-12,19-20,26-29,42-43,47-54,57,91H,1-2,9,13-18,21-25,30-41,70H2,3-6H3,(H,80,92)(H,81,98)(H,82,93)(H,83,94)(H,84,96)(H,85,100)(H,86,99)(H,87,97)(H,88,95)(H,102,103)(H4,71,72,77)(H4,73,74,78)(H4,75,76,79)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,57-/m0/s1
InChIKey
PUPCCTCXOWBBTI-JHLTVMAUSA-N
PubChem Compound ID
44325420
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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