Drug General Information
Drug ID
D07AUG
Former ID
DNC012731
Drug Name
H-D-Trp-c[Cys-Tyr-D-Trp-Arg-Thr-Pen]-Thr-NH2
Indication Discovery agent Investigative [525699]
Structure
Download
2D MOL

3D MOL

Formula
C53H70N14O11S2
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)C(CC5=<br />CNC6=CC=CC=C65)N)(C)C)C(=O)NC(C(C)O)C(=O)N)O
InChI
1S/C53H70N14O11S2/c1-26(68)41(44(55)71)65-51(78)43-53(3,4)80-79-25-40(64-45(72)34(54)21-29-23-59-35-12-7-5-10-32(29)35)49(76)62-38(20-28-15-17-31(70)18-16-28)47(74)63-39(22-30-24-60-36-13-8-6-11-33(30)36)48(75)61-37(14-9-19-58-52(56)57)46(73)66-42(27(2)69)50(77)67-43/h5-8,10-13,15-18,23-24,26-27,34,37-43,59-60,68-70H,9,14,19-22,25,54H2,1-4H3,(H2,55,71)(H,61,75)(H,62,76)(H,63,74)(H,64,72)(H,65,78)(H,66,73)(H,67,77)(H4,56,57,58)/t26-,27-,34-,37+,38+,39+,40+,41+,42-,43+/m1/s1
InChIKey
UGJHJTQROKIYLL-CCDPMWLASA-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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