Drug Information

Drug General Information
Drug ID
D0U7PT
Former ID
DNC012671
Drug Name
ANALOG OF DYNORPHIN A
Indication Discovery agent Investigative [533889]
Structure
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2D MOL

3D MOL
Formula
C75H126N24O15
Canonical SMILES
CCC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(<br />=O)NC(CC(C)C)C(=O)NC(CCCCN)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(CC2=CC=CC=C2)NC<br />(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N
InChI
1S/C75H126N24O15/c1-7-45(6)61(70(111)94-53(25-17-35-87-75(83)84)71(112)99-36-18-26-58(99)69(110)93-50(21-11-13-31-76)64(105)96-56(38-44(4)5)67(108)95-54(72(113)114)22-12-14-32-77)98-65(106)52(24-16-34-86-74(81)82)91-63(104)51(23-15-33-85-73(79)80)92-66(107)55(37-43(2)3)97-68(109)57(40-46-19-9-8-10-20-46)90-60(102)42-88-59(101)41-89-62(103)49(78)39-47-27-29-48(100)30-28-47/h8-10,19-20,27-30,43-45,49-58,61,100H,7,11-18,21-26,31-42,76-78H2,1-6H3,(H,88,101)(H,89,103)(H,90,102)(H,91,104)(H,92,107)(H,93,110)(H,94,111)(H,95,108)(H,96,105)(H,97,109)(H,98,106)(H,113,114)(H4,79,80,85)(H4,81,82,86)(H4,83,84,87)/t45-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-/m0/s1
InChIKey
OVVIBUHLQIYUEU-IWIISZHXSA-N
PubChem Compound ID
25075996
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [533889]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling 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
Enkephalin release
Opioid proenkephalin pathway
Opioid proopiomelanocortin 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 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.
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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