Drug General Information
Drug ID
D0D8XY
Former ID
DNC005946
Drug Name
ATOSIBAN
Drug Type
Small molecular drug
Indication Discovery agent Phase 4 [524034], [539407]
Structure
Download
2D MOL

3D MOL

Formula
C43H67N11O12S2
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
InChIKey
VWXRQYYUEIYXCZ-OBIMUBPZSA-N
CAS Number
CAS 90779-69-4
PubChem Compound ID
PubChem Substance ID
SuperDrug ATC ID
G02CX01
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
Reactome Vasopressin-like receptors
G alpha (q) signalling eventsR-HSA-388479:Vasopressin-like receptors
G alpha (s) signalling events
Vasopressin regulates renal water homeostasis via Aquaporins
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 524034ClinicalTrials.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 527874Bioorg 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 529164Bioorg 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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