Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0ZV3Y
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| Former ID |
DNC007703
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| Drug Name |
[Mpa1, D-Tyr(Et)2, D-Tic7, Aib9]OT
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
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Download2D MOL |
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| Formula |
C52H75N11O12S2
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| 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)N3CC4=CC=CC=C4CC3C(=O)NC(CC(C)C)C(<br />=O)NC(C)(C)C(=O)N)CC(=O)N)CCC(=O)N
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| InChI |
1S/C52H75N11O12S2/c1-8-29(5)43-49(72)57-34(18-19-40(53)64)44(67)58-37(25-41(54)65)45(68)60-38(27-77-76-21-20-42(66)56-36(46(69)61-43)23-30-14-16-33(17-15-30)75-9-2)50(73)63-26-32-13-11-10-12-31(32)24-39(63)48(71)59-35(22-28(3)4)47(70)62-52(6,7)51(55)74/h10-17,28-29,34-39,43H,8-9,18-27H2,1-7H3,(H2,53,64)(H2,54,65)(H2,55,74)(H,56,66)(H,57,72)(H,58,67)(H,59,71)(H,60,68)(H,61,69)(H,62,70)/t29-,34-,35-,36-,37-,38-,39+,43-/m0/s1
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| InChIKey |
OKJBACYELSLYOC-QNDTVFEZSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Oxytocin receptor | Target Info | Inhibitor | [2] | |
| 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 1 | (http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2255). | ||||
| REF 2 | Eur 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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