Drug General Information
Drug ID
D01EDA
Former ID
DNC007702
Drug Name
[Mpa1, D-Tyr(Et)2, Pip7]OT
Indication Discovery agent Investigative [528693]
Structure
Download
2D MOL

3D MOL

Formula
C46H71N11O12S2
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)N3CCCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O<br />)N)CC(=O)N)CCC(=O)N
InChI
1S/C46H71N11O12S2/c1-6-26(5)39-45(67)52-29(15-16-35(47)58)41(63)53-32(22-36(48)59)42(64)55-33(24-71-70-19-17-38(61)51-31(43(65)56-39)21-27-11-13-28(14-12-27)69-7-2)46(68)57-18-9-8-10-34(57)44(66)54-30(20-25(3)4)40(62)50-23-37(49)60/h11-14,25-26,29-34,39H,6-10,15-24H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,63)(H,54,66)(H,55,64)(H,56,65)/t26-,29-,30-,31-,32-,33-,34-,39-/m0/s1
InChIKey
NMLWRIDSUBGNGP-IHJZLXGESA-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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