Drug General Information
Drug ID
D0F9QJ
Former ID
DNC007691
Drug Name
[Gly(But)7]OT
Indication Discovery agent Investigative [528693]
Structure
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2D MOL

3D MOL

Formula
C44H70N12O12S2
Canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)C<br />C2=CC=C(C=C2)O)N)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NCC(=O)N)C<br />(C)(C)C)CC(=O)N)CCC(=O)N
InChI
1S/C44H70N12O12S2/c1-8-22(4)34-42(67)50-26(13-14-31(46)58)38(63)52-29(17-32(47)59)39(64)54-30(20-70-69-19-25(45)36(61)51-28(40(65)55-34)16-23-9-11-24(57)12-10-23)41(66)56-35(44(5,6)7)43(68)53-27(15-21(2)3)37(62)49-18-33(48)60/h9-12,21-22,25-30,34-35,57H,8,13-20,45H2,1-7H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,61)(H,52,63)(H,53,68)(H,54,64)(H,55,65)(H,56,66)/t22-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1
InChIKey
ZQBKWQKQBINQEI-PJCZHVSHSA-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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