Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0S3GE
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| Former ID |
DNC007693
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| Drug Name |
[D-Tic7]OT
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C48H68N12O12S2
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| 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)N3CC4=CC=CC=C4CC3C(=O)NC(CC(C)C)C<br />(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
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| InChI |
1S/C48H68N12O12S2/c1-5-25(4)40-47(71)54-31(14-15-37(50)62)43(67)56-34(19-38(51)63)44(68)58-35(23-74-73-22-30(49)41(65)55-33(45(69)59-40)17-26-10-12-29(61)13-11-26)48(72)60-21-28-9-7-6-8-27(28)18-36(60)46(70)57-32(16-24(2)3)42(66)53-20-39(52)64/h6-13,24-25,30-36,40,61H,5,14-23,49H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,71)(H,55,65)(H,56,67)(H,57,70)(H,58,68)(H,59,69)/t25-,30-,31-,32-,33-,34-,35-,36+,40-/m0/s1
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| InChIKey |
GJHLANNXTOQRKG-VLMAQVDPSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Oxytocin receptor | 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 | |||||
| REF 1 | 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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