Drug General Information
Drug ID
D0ZV3Y
Former ID
DNC007703
Drug Name
[Mpa1, D-Tyr(Et)2, D-Tic7, Aib9]OT
Indication Discovery agent Investigative [539428]
Structure
Download
2D MOL

3D MOL

Formula
C52H75N11O12S2
Canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC<br />2=CC=C(C=C2)OCC)C(=O)N3CC4=CC=CC=C4CC3C(=O)NC(CC(C)C)C(<br />=O)NC(C)(C)C(=O)N)CC(=O)N)CCC(=O)N
InChI
1S/C52H75N11O12S2/c1-8-29(5)43-49(72)57-34(18-19-40(53)64)44(67)58-37(25-41(54)65)45(68)60-38(27-77-76-21-20-42(66)56-36(46(69)61-43)23-30-14-16-33(17-15-30)75-9-2)50(73)63-26-32-13-11-10-12-31(32)24-39(63)48(71)59-35(22-28(3)4)47(70)62-52(6,7)51(55)74/h10-17,28-29,34-39,43H,8-9,18-27H2,1-7H3,(H2,53,64)(H2,54,65)(H2,55,74)(H,56,66)(H,57,72)(H,58,67)(H,59,71)(H,60,68)(H,61,69)(H,62,70)/t29-,34-,35-,36-,37-,38-,39+,43-/m0/s1
InChIKey
OKJBACYELSLYOC-QNDTVFEZSA-N
PubChem Compound ID
Target and Pathway
Target(s) Oxytocin receptor Target Info Inhibitor [528693]
KEGG Pathway Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Oxytocin signaling pathway
NetPath Pathway TGF_beta_Receptor Signaling Pathway
PANTHER Pathway Oxytocin receptor mediated signaling pathway
Reactome Vasopressin-like receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Myometrial Relaxation and Contraction Pathways
Oxytocin signaling
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 539428(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2255).
Ref 528693Eur J Med Chem. 2007 Jun;42(6):799-806. Epub 2007 Jan 10.Synthesis and biological activity of oxytocin analogues containing conformationally-restricted residues in position 7.

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