Drug General Information
Drug ID
D07HTH
Former ID
DNC007705
Drug Name
[Mpa1, D-Tyr(Et)2, D-Tic7]OT
Indication Discovery agent Investigative [539429]
Structure
Download
2D MOL

3D MOL

Formula
C50H71N11O12S2
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)NCC(=O)N)CC(=O)N)CCC(=O)N
InChI
1S/C50H71N11O12S2/c1-6-28(5)43-49(71)56-33(16-17-39(51)62)45(67)57-36(23-40(52)63)46(68)59-37(26-75-74-19-18-42(65)55-35(47(69)60-43)21-29-12-14-32(15-13-29)73-7-2)50(72)61-25-31-11-9-8-10-30(31)22-38(61)48(70)58-34(20-27(3)4)44(66)54-24-41(53)64/h8-15,27-28,33-38,43H,6-7,16-26H2,1-5H3,(H2,51,62)(H2,52,63)(H2,53,64)(H,54,66)(H,55,65)(H,56,71)(H,57,67)(H,58,70)(H,59,68)(H,60,69)/t28-,33-,34-,35-,36-,37-,38+,43-/m0/s1
InChIKey
XCBFBYRYXJOIRC-ABNDKVESSA-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 539429(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: 2256).
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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