Drug Information

Drug General Information
Drug ID
D09JXT
Former ID
DNC011805
Drug Name
N-allyl[D-Pro-10]Dyn A-(1-11)
Indication Discovery agent Investigative [534450]
Structure
Download
2D MOL

3D MOL
Formula
C66H107N21O13
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)NCC=C
InChI
1S/C66H107N21O13/c1-6-29-74-48(35-42-24-26-43(88)27-25-42)55(91)79-37-52(89)78-38-53(90)80-50(36-41-17-9-8-10-18-41)59(95)85-49(34-39(3)4)58(94)82-44(20-13-30-75-64(68)69)56(92)81-45(21-14-31-76-65(70)71)57(93)86-54(40(5)7-2)61(97)83-46(22-15-32-77-66(72)73)62(98)87-33-16-23-51(87)60(96)84-47(63(99)100)19-11-12-28-67/h6,8-10,17-18,24-27,39-40,44-51,54,74,88H,1,7,11-16,19-23,28-38,67H2,2-5H3,(H,78,89)(H,79,91)(H,80,90)(H,81,92)(H,82,94)(H,83,97)(H,84,96)(H,85,95)(H,86,93)(H,99,100)(H4,68,69,75)(H4,70,71,76)(H4,72,73,77)/t40-,44-,45-,46-,47-,48-,49-,50-,51-,54-/m0/s1
InChIKey
MKKPRLAUMQVIGT-QNKLTTAESA-N
PubChem Compound ID
44325372
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.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.