Drug General Information
Drug ID
D0O1KA
Former ID
DNC007692
Drug Name
[Aib7]OT
Drug Type
Small molecular drug
Indication Discovery agent Investigative [528693]
Structure
Download
2D MOL

3D MOL

Formula
C42H66N12O12S2
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)(C)C(=O)NC(CC(C)C)C(=O)NCC(=<br />O)N)CC(=O)N)CCC(=O)N
InChI
1S/C42H66N12O12S2/c1-7-21(4)33-40(65)48-25(12-13-30(44)56)36(61)50-28(16-31(45)57)37(62)51-29(39(64)54-42(5,6)41(66)52-26(14-20(2)3)35(60)47-17-32(46)58)19-68-67-18-24(43)34(59)49-27(38(63)53-33)15-22-8-10-23(55)11-9-22/h8-11,20-21,24-29,33,55H,7,12-19,43H2,1-6H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,65)(H,49,59)(H,50,61)(H,51,62)(H,52,66)(H,53,63)(H,54,64)/t21-,24-,25-,26-,27-,28-,29-,33-/m0/s1
InChIKey
VQOHKFLFXMHMBH-LQGOSMBMSA-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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