Drug Information

Drug General Information
Drug ID
D09XWA
Former ID
DNC013173
Drug Name
D[Cha4,Dap8]VP
Indication Discovery agent Investigative [528674]
Formula
C47H65N11O11S2
Canonical SMILES
C1CCC(CC1)CC2C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)NC(C(=O)<br />N2)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N5CCCC5C(=O)NC(CN)<br />C(=O)NCC(=O)N)CC(=O)N
InChI
1S/C47H65N11O11S2/c48-24-35(41(63)51-25-39(50)61)56-46(68)37-12-7-18-58(37)47(69)36-26-71-70-19-17-40(62)52-31(22-29-13-15-30(59)16-14-29)42(64)53-32(20-27-8-3-1-4-9-27)43(65)54-33(21-28-10-5-2-6-11-28)44(66)55-34(23-38(49)60)45(67)57-36/h1,3-4,8-9,13-16,28,31-37,59H,2,5-7,10-12,17-26,48H2,(H2,49,60)(H2,50,61)(H,51,63)(H,52,62)(H,53,64)(H,54,65)(H,55,66)(H,56,68)(H,57,67)/t31-,32-,33-,34-,35-,36-,37-/m0/s1
InChIKey
XABCPBOFMBSCDK-PEAOEFARSA-N
PubChem Compound ID
16109439
Target and Pathway
Target(s) Vasopressin V1a receptor Target Info Inhibitor [528674]
Vasopressin V1b receptor Target Info Inhibitor [528674]
Oxytocin receptor Target Info Inhibitor [528674]
Vasopressin V2 receptor Target Info Inhibitor [528674]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Vascular smooth muscle contractionhsa04020:Calcium signaling pathway
cAMP signaling pathway
Oxytocin signaling pathwayhsa04080: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 528674J Med Chem. 2007 Feb 22;50(4):835-47.Design and synthesis of the first selective agonists for the rat vasopressin V(1b) receptor: based on modifications of deamino-[Cys1]arginine vasopressin at positions 4 and 8.
Ref 528674J Med Chem. 2007 Feb 22;50(4):835-47.Design and synthesis of the first selective agonists for the rat vasopressin V(1b) receptor: based on modifications of deamino-[Cys1]arginine vasopressin at positions 4 and 8.

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