Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0O1KA
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| Former ID |
DNC007692
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| Drug Name |
[Aib7]OT
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| Synonyms |
CHEMBL395430; [Aib7]OT
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| Drug Type |
Small molecular drug
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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 |
C42H66N12O12S2
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
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| 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
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| InChIKey |
VQOHKFLFXMHMBH-LQGOSMBMSA-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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