Drug General Information
Drug ID
D0O9FA
Former ID
DNC007698
Drug Name
[Mpa1, D-Tyr(Et)2, Aib7, D-Tic9]OT
Indication Discovery agent Investigative [528693]
Structure
Download
2D MOL

3D MOL

Formula
C48H75N11O12S2
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)NC(C)(C)C(=O)NC(CC(C)C)C(=O)N3CCCC<br />C3C(=O)N)CC(=O)N)CCC(=O)N
InChI
1S/C48H75N11O12S2/c1-8-27(5)39-45(68)53-30(17-18-36(49)60)41(64)54-32(24-37(50)61)42(65)55-34(25-73-72-21-19-38(62)52-31(43(66)57-39)23-28-13-15-29(16-14-28)71-9-2)44(67)58-48(6,7)47(70)56-33(22-26(3)4)46(69)59-20-11-10-12-35(59)40(51)63/h13-16,26-27,30-35,39H,8-12,17-25H2,1-7H3,(H2,49,60)(H2,50,61)(H2,51,63)(H,52,62)(H,53,68)(H,54,64)(H,55,65)(H,56,70)(H,57,66)(H,58,67)/t27-,30-,31-,32-,33-,34-,35+,39-/m0/s1
InChIKey
UMBCXADJMGHVRX-AYLPWDSMSA-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 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.
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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