Drug General Information
Drug ID
D0C9XB
Former ID
DNC011493
Drug Name
D-PhGly-Cys-Tyr-D-Trp-Lys-Thr-Pen-Thr-NH2
Indication Discovery agent Investigative [533376]
Structure
Download
2D MOL

3D MOL

Formula
C50H67N11O11S2
Canonical SMILES
CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC<br />CN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(C5=CC=CC=<br />C5)N)(C)C)C(=O)NC(C(C)O)C(=O)N)O
InChI
1S/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-37(58-47(70)38(52)29-12-6-5-7-13-29)46(69)56-35(22-28-17-19-31(64)20-18-28)44(67)57-36(23-30-24-54-33-15-9-8-14-32(30)33)45(68)55-34(16-10-11-21-51)43(66)60-40(27(2)63)48(71)61-41/h5-9,12-15,17-20,24,26-27,34-41,54,62-64H,10-11,16,21-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,68)(H,56,69)(H,57,67)(H,58,70)(H,59,72)(H,60,66)(H,61,71)/t26-,27-,34+,35+,36-,37+,38-,39+,40-,41+/m1/s1
InChIKey
MAYLVNQSAJCEEF-XGMLMNQMSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [533376]
Mu-type opioid receptor Target Info Inhibitor [533376]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
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
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 signalingWP69:TCR Signaling Pathway
Opioid Signalling
GPCR downstream signaling
References
Ref 533376J Med Chem. 1986 Nov;29(11):2370-5.Design and synthesis of conformationally constrained somatostatin analogues with high potency and specificity for mu opioid receptors.
Ref 533376J Med Chem. 1986 Nov;29(11):2370-5.Design and synthesis of conformationally constrained somatostatin analogues with high potency and specificity for mu opioid receptors.

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