Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0O9FA
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| Former ID |
DNC007698
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| Drug Name |
[Mpa1, D-Tyr(Et)2, Aib7, D-Tic9]OT
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| Synonyms |
CHEMBL233080; [Mpa1, D-Tyr(Et)2, Aib7, 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 |
C48H75N11O12S2
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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)NC(C)(C)C(=O)NC(CC(C)C)C(=O)N3CCCCC3C(=O)N)CC(=O)N)CCC(=O)N
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| InChI |
1S/C48H75N11O12S2/c1-8-27(5)39-45(68)53-30(17-18-36(49)60)41(64)54-32(24-37(50)61)42(65)55-34(25-73-72-21-19-38(62)52-31(43(66)57-39)23-28-13-15-29(16-14-28)71-9-2)44(67)58-48(6,7)47(70)56-33(22-26(3)4)46(69)59-20-11-10-12-35(59)40(51)63/h13-16,26-27,30-35,39H,8-12,17-25H2,1-7H3,(H2,49,60)(H2,50,61)(H2,51,63)(H,52,62)(H,53,68)(H,54,64)(H,55,65)(H,56,70)(H,57,66)(H,58,67)/t27-,30-,31-,32-,33-,34-,35+,39-/m0/s1
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| InChIKey |
UMBCXADJMGHVRX-AYLPWDSMSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Oxytocin receptor (OTR) | Target Info | Inhibitor | [1] |
| 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 | 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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