Drug General Information
Drug ID
D0RR4X
Former ID
DNC012728
Drug Name
H-D-Tic-c[Cys-Tyr-D-Trp-Arg-Thr-Pen]-Thr-NH2
Indication Discovery agent Investigative [525699]
Structure
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2D MOL

3D MOL

Formula
C52H69N13O11S2
Canonical SMILES
CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC<br />N=C(N)N)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C5CC6=<br />CC=CC=C6CN5)(C)C)C(=O)NC(C(C)O)C(=O)N)O
InChI
1S/C52H69N13O11S2/c1-26(66)40(43(53)69)63-50(76)42-52(3,4)78-77-25-39(62-45(71)36-21-29-10-5-6-11-30(29)23-58-36)48(74)60-37(20-28-15-17-32(68)18-16-28)46(72)61-38(22-31-24-57-34-13-8-7-12-33(31)34)47(73)59-35(14-9-19-56-51(54)55)44(70)64-41(27(2)67)49(75)65-42/h5-8,10-13,15-18,24,26-27,35-42,57-58,66-68H,9,14,19-23,25H2,1-4H3,(H2,53,69)(H,59,73)(H,60,74)(H,61,72)(H,62,71)(H,63,76)(H,64,70)(H,65,75)(H4,54,55,56)/t26-,27-,35+,36-,37+,38+,39+,40+,41-,42+/m1/s1
InChIKey
VZDYOAZXFPOIMZ-MDTUBHLHSA-N
PubChem Compound ID
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [525699]
Mu-type opioid receptor Target Info Inhibitor [525699]
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 525699J Med Chem. 2000 Feb 24;43(4):569-80.Opiate aromatic pharmacophore structure-activity relationships in CTAP analogues determined by topographical bias, two-dimensional NMR, and biological activity assays.
Ref 525699J Med Chem. 2000 Feb 24;43(4):569-80.Opiate aromatic pharmacophore structure-activity relationships in CTAP analogues determined by topographical bias, two-dimensional NMR, and biological activity assays.

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