Drug General Information
Drug ID
D0YL6T
Former ID
DNC007707
Drug Name
[Mpa1, D-Tic2, Aib7]OT
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528693]
Structure
Download
2D MOL

3D MOL

Formula
C43H65N11O11S2
Canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)N2CC3=CC=CC=C<br />3CC2C(=O)N1)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NCC(=O)N)C<br />C(=O)N)CCC(=O)N
InChI
1S/C43H65N11O11S2/c1-7-23(4)35-41(64)48-26(12-13-31(44)55)37(60)49-28(18-32(45)56)38(61)50-29(39(62)53-43(5,6)42(65)51-27(16-22(2)3)36(59)47-19-33(46)57)21-67-66-15-14-34(58)54-20-25-11-9-8-10-24(25)17-30(54)40(63)52-35/h8-11,22-23,26-30,35H,7,12-21H2,1-6H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,59)(H,48,64)(H,49,60)(H,50,61)(H,51,65)(H,52,63)(H,53,62)/t23-,26-,27-,28-,29-,30+,35-/m0/s1
InChIKey
JBEGYQDVCITYKL-JEDRZNSQSA-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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