Drug Information

Drug General Information
Drug ID
D0X1SN
Former ID
DNC011891
Drug Name
H-Tyr-D-Ala-Aic-Asp-Val-Val-Gly-NH2
Drug Type
Small molecular drug
Indication Discovery agent Investigative [533958]
Structure
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2D MOL

3D MOL
Formula
C38H52N8O10
Canonical SMILES
CC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)N)NC(=O)C(CC(=O)O)NC(=<br />O)C1(CC2=CC=CC=C2C1)NC(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N
InChI
1S/C38H52N8O10/c1-19(2)30(35(54)41-18-28(40)48)45-36(55)31(20(3)4)44-34(53)27(15-29(49)50)43-37(56)38(16-23-8-6-7-9-24(23)17-38)46-32(51)21(5)42-33(52)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-27,30-31,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,52)(H,43,56)(H,44,53)(H,45,55)(H,46,51)(H,49,50)/t21-,26+,27+,30+,31+/m1/s1
InChIKey
QZYUFPDOTMWDCQ-UZHHEQFGSA-N
PubChem Compound ID
10010455
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Inhibitor [533958]
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 533958J Med Chem. 1993 Nov 26;36(24):3748-56.Phe3-substituted analogues of deltorphin C. Spatial conformation and topography of the aromatic ring in peptide recognition by delta opioid receptors.
Ref 533958J Med Chem. 1993 Nov 26;36(24):3748-56.Phe3-substituted analogues of deltorphin C. Spatial conformation and topography of the aromatic ring in peptide recognition by delta opioid receptors.

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