Drug Information

Drug General Information
Drug ID
D06BRA
Former ID
DNC006498
Drug Name
Tyr-D-Ala-Gly-D-Trp-Nle-Asp-Phe-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528193]
Structure
Download
2D MOL

3D MOL
Formula
C44H55N9O10
Canonical SMILES
CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O<br />)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(C)NC(=O)C(CC4=CC=C<br />(C=C4)O)N
InChI
1S/C44H55N9O10/c1-3-4-13-33(42(61)53-36(22-38(56)57)44(63)52-34(39(46)58)20-26-10-6-5-7-11-26)51-43(62)35(21-28-23-47-32-14-9-8-12-30(28)32)50-37(55)24-48-40(59)25(2)49-41(60)31(45)19-27-15-17-29(54)18-16-27/h5-12,14-18,23,25,31,33-36,47,54H,3-4,13,19-22,24,45H2,1-2H3,(H2,46,58)(H,48,59)(H,49,60)(H,50,55)(H,51,62)(H,52,63)(H,53,61)(H,56,57)/t25-,31+,33+,34+,35-,36+/m1/s1
InChIKey
LTNSZIYAGMZDDY-GUNATADUSA-N
PubChem Compound ID
11520765
Target and Pathway
Target(s) Cholecystokinin receptor type A Target Info Inhibitor [528193]
Delta-type opioid receptor Target Info Inhibitor [528193]
Mu-type opioid receptor Target Info Inhibitor [528193]
Gastrin/cholecystokinin type B receptor Target Info Inhibitor [528193]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Insulin secretion
Pancreatic secretionhsa04022:cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interactionhsa04080:Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addictionhsa04020:Calcium signaling pathway
Gastric acid secretion
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
Enkephalin releaseP06959:CCKR signaling map ST
Pathway Interaction Database IL4-mediated signaling events
PathWhiz Pathway Gastric Acid Production
Reactome Peptide ligand-binding receptors
G alpha (q) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling eventsR-HSA-375276:Peptide ligand-binding receptors
G alpha (q) signalling events
Gastrin-CREB signalling pathway via PKC and MAPK
WikiPathways GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
GPCR downstream signalingWP69:TCR Signaling Pathway
Opioid Signalling
Secretion of Hydrochloric Acid in Parietal Cells
GPCR downstream signaling
GPCRs, Other
References
Ref 528193J Med Chem. 2006 May 18;49(10):2868-75.Structure-activity relationships of bifunctional peptides based on overlapping pharmacophores at opioid and cholecystokinin receptors.
Ref 528193J Med Chem. 2006 May 18;49(10):2868-75.Structure-activity relationships of bifunctional peptides based on overlapping pharmacophores at opioid and cholecystokinin receptors.

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