Drug General Information
Drug ID
D0CX0I
Former ID
DNC013067
Drug Name
[Dcp1]Dyn A(1-11)-NH2
Indication Discovery agent Investigative [528376]
Structure
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2D MOL

3D MOL

Formula
C75H117N23O14
Canonical SMILES
CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(<br />=O)N)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)NC(=O)CCC4=C(C=C(C=C4C)C(=O)N)C
InChI
1S/C75H117N23O14/c1-7-43(4)62(71(111)95-54(22-15-33-87-75(83)84)72(112)98-34-16-23-58(98)70(110)92-51(64(78)104)19-11-12-30-76)97-67(107)53(21-14-32-86-74(81)82)93-66(106)52(20-13-31-85-73(79)80)94-68(108)55(35-42(2)3)96-69(109)57(38-46-17-9-8-10-18-46)91-61(102)41-88-60(101)40-89-65(105)56(39-47-24-26-49(99)27-25-47)90-59(100)29-28-50-44(5)36-48(63(77)103)37-45(50)6/h8-10,17-18,24-27,36-37,42-43,51-58,62,99H,7,11-16,19-23,28-35,38-41,76H2,1-6H3,(H2,77,103)(H2,78,104)(H,88,101)(H,89,105)(H,90,100)(H,91,102)(H,92,110)(H,93,106)(H,94,108)(H,95,111)(H,96,109)(H,97,107)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t43-,51-,52-,53-,54-,55-,56-,57-,58-,62-/m0/s1
InChIKey
YPSMIMXFFGKHRC-DJQAJQEISA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [528376]
Kappa-type opioid receptor Target Info Inhibitor [528376]
Mu-type opioid receptor Target Info Inhibitor [528376]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addiction
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 release
Opioid proenkephalin pathway
Opioid proopiomelanocortin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Opioid prodynorphin pathwayP00026:Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated 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 GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 528376J Med Chem. 2006 Aug 24;49(17):5382-5.Replacement of the N-terminal tyrosine residue in opioid peptides with 3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid (Dcp) results in novel opioid antagonists.
Ref 528376J Med Chem. 2006 Aug 24;49(17):5382-5.Replacement of the N-terminal tyrosine residue in opioid peptides with 3-(2,6-dimethyl-4-carbamoylphenyl)propanoic acid (Dcp) results in novel opioid antagonists.

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