Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09LXI
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| Former ID |
DNC007704
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| Drug Name |
[Mpa1, D-Tyr(Et)2, D-Tic7, D-Tic9]OT
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| Synonyms |
CHEMBL434193; [Mpa1, D-Tyr(Et)2, D-Tic7, D-Tic9]OT
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C58H77N11O12S2
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CC4=CC=CC=C4CC3C(=O)NC(CC(C)C)C(=O)N5CC6=CC=CC=C6CC5C(=O)N)CC(=O)N)CCC(=O)N
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| InChI |
1S/C58H77N11O12S2/c1-6-33(5)50-56(78)63-40(20-21-47(59)70)52(74)64-42(28-48(60)71)53(75)66-44(31-83-82-23-22-49(72)62-41(54(76)67-50)25-34-16-18-39(19-17-34)81-7-2)58(80)69-30-38-15-11-9-13-36(38)27-46(69)55(77)65-43(24-32(3)4)57(79)68-29-37-14-10-8-12-35(37)26-45(68)51(61)73/h8-19,32-33,40-46,50H,6-7,20-31H2,1-5H3,(H2,59,70)(H2,60,71)(H2,61,73)(H,62,72)(H,63,78)(H,64,74)(H,65,77)(H,66,75)(H,67,76)/t33-,40-,41-,42-,43-,44-,45+,46+,50-/m0/s1
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| InChIKey |
WNQPWZVGNWMXJD-YJDWKIOXSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Oxytocin receptor (OTR) | 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 | Top | |||
|---|---|---|---|---|
| REF 1 | URL: 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: 2254). | |||
| REF 2 | Synthesis and biological activity of oxytocin analogues containing conformationally-restricted residues in position 7. Eur J Med Chem. 2007 Jun;42(6):799-806. | |||
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