Drug General Information
Drug ID
D0V3FF
Former ID
DNC013170
Drug Name
D[Leu4,Orn8]VP
Indication Discovery agent Investigative [528674]
Structure
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2D MOL

3D MOL

Formula
C46H65N11O11S2
Canonical SMILES
CC(C)CC1C(=O)NC(C(=O)NC(CSSCCC(=O)NC(C(=O)NC(C(=O)N1)CC<br />2=CC=CC=C2)CC3=CC=C(C=C3)O)C(=O)N4CCCC4C(=O)NC(CCCN)C(=<br />O)NCC(=O)N)CC(=O)N
InChI
1S/C46H65N11O11S2/c1-26(2)20-31-41(63)55-34(23-37(48)59)44(66)56-35(46(68)57-18-7-11-36(57)45(67)52-30(10-6-17-47)40(62)50-24-38(49)60)25-70-69-19-16-39(61)51-32(22-28-12-14-29(58)15-13-28)42(64)54-33(43(65)53-31)21-27-8-4-3-5-9-27/h3-5,8-9,12-15,26,30-36,58H,6-7,10-11,16-25,47H2,1-2H3,(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,65)(H,54,64)(H,55,63)(H,56,66)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKey
FVVIZMMVAAKOOP-QJCLFNHPSA-N
PubChem Compound ID
Target and Pathway
Target(s) Oxytocin receptor Target Info Inhibitor [528674]
Vasopressin V1b receptor Target Info Inhibitor [528674]
Vasopressin V1a receptor Target Info Inhibitor [528674]
Vasopressin V2 receptor Target Info Inhibitor [528674]
KEGG Pathway Calcium signaling pathway
cAMP signaling pathway
Neuroactive ligand-receptor interaction
Oxytocin signaling pathwayhsa04020:Calcium signaling pathway
Vascular smooth muscle contractionhsa04020: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
Myometrial Relaxation and Contraction Pathways
Oxytocin signaling
Gastrin-CREB signalling pathway via PKC and MAPK
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
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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