Drug Information

Drug General Information
Drug ID
D0KW4Y
Former ID
DNC011945
Drug Name
H-Tyr-D-Ala-Tic-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)C1CC2=CC=CC=C2CN1C(=O)C(C)NC(=O)C(CC3=CC=C(C=C3)O)N
InChI
1S/C38H52N8O10/c1-19(2)31(36(54)41-17-29(40)48)45-37(55)32(20(3)4)44-34(52)27(16-30(49)50)43-35(53)28-15-23-8-6-7-9-24(23)18-46(28)38(56)21(5)42-33(51)26(39)14-22-10-12-25(47)13-11-22/h6-13,19-21,26-28,31-32,47H,14-18,39H2,1-5H3,(H2,40,48)(H,41,54)(H,42,51)(H,43,53)(H,44,52)(H,45,55)(H,49,50)/t21-,26+,27+,28+,31+,32+/m1/s1
InChIKey
JOXXADDFFWZHEE-JMZWVCJUSA-N
PubChem Compound ID
10485385
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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