Drug General Information
Drug ID
D0HI2N
Former ID
DNC013174
Drug Name
D[Cha4,Dab8]VP
Indication Discovery agent Investigative [539387]
Structure
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2D MOL

3D MOL

Formula
C48H67N11O11S2
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(CCN<br />)C(=O)NCC(=O)N)CC(=O)N
InChI
1S/C48H67N11O11S2/c49-19-17-32(42(64)52-26-40(51)62)54-47(69)38-12-7-20-59(38)48(70)37-27-72-71-21-18-41(63)53-33(24-30-13-15-31(60)16-14-30)43(65)55-34(22-28-8-3-1-4-9-28)44(66)56-35(23-29-10-5-2-6-11-29)45(67)57-36(25-39(50)61)46(68)58-37/h1,3-4,8-9,13-16,29,32-38,60H,2,5-7,10-12,17-27,49H2,(H2,50,61)(H2,51,62)(H,52,64)(H,53,63)(H,54,69)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t32-,33-,34-,35-,36-,37-,38-/m0/s1
InChIKey
DPVYQFBOSXXNLG-CXWHUAPYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Vasopressin V1b receptor Target Info Inhibitor [528674]
Oxytocin receptor Target Info Inhibitor [528674]
Vasopressin V1a 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 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 539387(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: 2186).
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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