Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0D8XY
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| Former ID |
DNC005946
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| Drug Name |
ATOSIBAN
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| Drug Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C43H67N11O12S2
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| InChI |
InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1
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| InChIKey |
VWXRQYYUEIYXCZ-OBIMUBPZSA-N
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| CAS Number |
CAS 90779-69-4
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| PubChem Compound ID | |||||
| PubChem Substance ID |
7978736, 11056208, 12014192, 14938957, 24724390, 29217473, 39340742, 50111698, 57359320, 75441903, 93815072, 104063058, 114155046, 126591285, 135652002, 136156103, 137115019, 144207023, 152134062, 152344072, 160703997, 162179176, 162248049, 163831696, 163883126, 164826371, 187072129, 224705415, 226420804, 241175214, 249719018
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| SuperDrug ATC ID |
G02CX01
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| Target and Pathway | |||||
| Target(s) | Vasopressin V1a receptor | Target Info | Inhibitor | [529164] | |
| Oxytocin receptor | Target Info | Inhibitor | [527874] | ||
| Vasopressin V1b receptor | Target Info | Inhibitor | [529164] | ||
| Vasopressin V2 receptor | Target Info | Inhibitor | [529164] | ||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Vascular smooth muscle contractionhsa04020:Calcium signaling pathway | |||||
| cAMP signaling pathway | |||||
| Oxytocin signaling pathwayhsa04020:Calcium signaling pathway | |||||
| Vascular smooth muscle contractionhsa04080:Neuroactive ligand-receptor interaction | |||||
| Vasopressin-regulated water reabsorption | |||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | ||||
| PANTHER Pathway | Oxytocin receptor mediated signaling pathway | ||||
| Pathway Interaction Database | Arf6 trafficking events | ||||
| PathWhiz Pathway | Vasopressin Regulation of Water Homeostasis | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like | |||||
| Myometrial Relaxation and Contraction Pathways | |||||
| Oxytocin signaling | |||||
| Regulation of Water Balance by Renal Aquaporins | |||||
| GPCR downstream signaling | |||||
| References | |||||
| Ref 524034 | ClinicalTrials.gov (NCT01673399) Oxytocin Antagonist in Patients With Repeated Failure of Implantation. U.S. National Institutes of Health. | ||||
| Ref 539407 | (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: 2213). | ||||
| Ref 527874 | Bioorg Med Chem Lett. 2006 Feb 15;16(4):954-9. Epub 2005 Nov 15.Pyridobenzodiazepines: a novel class of orally active, vasopressin V2 receptor selective agonists. | ||||
| Ref 529164 | Bioorg Med Chem Lett. 2008 Jan 1;18(1):90-4. Epub 2007 Nov 6.The discovery of GSK221149A: a potent and selective oxytocin antagonist. | ||||
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