Drug Information

Drug General Information
Drug ID
D0N7FU
Former ID
DNC011445
Drug Name
D-Phe-Cys-Tyr-D-Trp-Orn-Thr-Pen-Thr-NH2(CTOP)
Indication Discovery agent Investigative [533376]
Formula
C50H67N11O11S2
Canonical SMILES
CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCC<br />N)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=<br />C5)N)(C)C)C(=O)NC(C(C)O)C(=O)N)O
InChI
1S/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-38(58-43(66)33(52)21-28-11-6-5-7-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-9-8-13-32(30)34)46(69)55-35(15-10-20-51)44(67)60-40(27(2)63)48(71)61-41/h5-9,11-14,16-19,24,26-27,33,35-41,54,62-64H,10,15,20-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)/t26-,27-,33-,35+,36+,37-,38+,39+,40-,41+/m1/s1
InChIKey
PZWWYAHWHHNCHO-JGPYJKKXSA-N
PubChem Compound ID
44316520
Target and Pathway
Target(s) Delta-type opioid receptor Target Info Inhibitor [533376]
KEGG Pathway cGMP-PKG signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
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 pathway
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 533376J Med Chem. 1986 Nov;29(11):2370-5.Design and synthesis of conformationally constrained somatostatin analogues with high potency and specificity for mu opioid receptors.
Ref 533376J Med Chem. 1986 Nov;29(11):2370-5.Design and synthesis of conformationally constrained somatostatin analogues with high potency and specificity for mu opioid receptors.