Drug General Information
Drug ID
D0Y8SK
Former ID
DNC008507
Drug Name
DYNORPHIN A
Drug Type
Small molecular drug
Indication Discovery agent Discontinued in Phase 2 [538995], [546012]
Structure
Download
2D MOL

3D MOL

Formula
C99H155N31O23
Canonical SMILES
CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CCCN=C(N)N)NC<br />(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC<br />(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N
InChI
1S/C52H84N18O11/c1-5-30(4)42(48(79)68-37(49(80)81)16-11-23-62-52(58)59)70-45(76)36(15-10-22-61-51(56)57)66-44(75)35(14-9-21-60-50(54)55)67-46(77)38(24-29(2)3)69-47(78)39(26-31-12-7-6-8-13-31)65-41(73)28-63-40(72)27-64-43(74)34(53)25-32-17-19-33(71)20-18-32/h6-8,12-13,17-20,29-30,34-39,42,71H,5,9-11,14-16,21-28,53H2,1-4H3,(H,63,72)(H,64,74)(H,65,73)(H,66,75)(H,67,77)(H,68,79)(H,69,78)(H,70,76)(H,80,81)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t30-,34-,35-,36-,37-,38-,39-,42-/m0/s1
InChIKey
CZWWJMLXKYUVTQ-VCZUSBFASA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [529478]
Delta-type opioid receptor Target Info Inhibitor [533889]
Kappa-type opioid receptor Target Info Inhibitor [529478]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
NetPath Pathway TCR Signaling Pathway
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
Enkephalin releaseP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Opioid prodynorphin pathway
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signaling
References
Ref 538995(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1620).
Ref 546012Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005877)
Ref 529478Bioorg Med Chem Lett. 2008 Jun 15;18(12):3667-71. Epub 2007 Dec 4.Use of receptor chimeras to identify small molecules with high affinity for the dynorphin A binding domain of the kappa opioid receptor.
Ref 533889J Med Chem. 1993 Mar 19;36(6):750-7.Design and synthesis of highly potent and selective cyclic dynorphin A analogs. 2. New analogs.

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