Drug General Information
Drug ID
D0E7CA
Former ID
DNC012692
Drug Name
Tyr-D-Ala-Phe-Thr[-D-Glc(OAc)4]-Tyr-Pro-Ser-NH2
Indication Discovery agent Investigative [534460]
Structure
Download
2D MOL

3D MOL

Formula
C56H72N8O20
Canonical SMILES
CC(C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CO)C(=<br />O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(C)NC(=O)C(CC4=CC=C(C=C<br />4)O)N)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
1S/C56H72N8O20/c1-28(59-51(74)39(57)23-35-14-18-37(70)19-15-35)50(73)60-40(24-34-11-8-7-9-12-34)52(75)63-45(29(2)80-56-48(83-33(6)69)47(82-32(5)68)46(81-31(4)67)44(84-56)27-79-30(3)66)54(77)61-41(25-36-16-20-38(71)21-17-36)55(78)64-22-10-13-43(64)53(76)62-42(26-65)49(58)72/h7-9,11-12,14-21,28-29,39-48,56,65,70-71H,10,13,22-27,57H2,1-6H3,(H2,58,72)(H,59,74)(H,60,73)(H,61,77)(H,62,76)(H,63,75)/t28-,29-,39+,40+,41+,42+,43+,44?,45+,46?,47?,48?,56?/m1/s1
InChIKey
OATORUSDYAEZJF-KJZMLFIGSA-N
PubChem Compound ID
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [534460]
KEGG Pathway 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
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
GPCR downstream signaling
References
Ref 534460J Med Chem. 1997 Aug 29;40(18):2948-52.Synthesis and pharmacological activity of deltorphin and dermorphin-related glycopeptides.
Ref 534460J Med Chem. 1997 Aug 29;40(18):2948-52.Synthesis and pharmacological activity of deltorphin and dermorphin-related glycopeptides.

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