Drug General Information
Drug ID
D0O5TK
Former ID
DNC013168
Drug Name
D[Leu4,Dap8]VP
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539389]
Structure
Download
2D MOL

3D MOL

Formula
C44H61N11O11S2
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(CN)C(=O)<br />NCC(=O)N)CC(=O)N
InChI
1S/C44H61N11O11S2/c1-24(2)17-28-39(61)52-31(20-35(46)57)42(64)54-33(44(66)55-15-6-9-34(55)43(65)53-32(21-45)38(60)48-22-36(47)58)23-68-67-16-14-37(59)49-29(19-26-10-12-27(56)13-11-26)40(62)51-30(41(63)50-28)18-25-7-4-3-5-8-25/h3-5,7-8,10-13,24,28-34,56H,6,9,14-23,45H2,1-2H3,(H2,46,57)(H2,47,58)(H,48,60)(H,49,59)(H,50,63)(H,51,62)(H,52,61)(H,53,65)(H,54,64)/t28-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey
ZAOGZAMKKBQERK-NXBWRCJVSA-N
PubChem Compound ID
Target and Pathway
Target(s) Vasopressin V2 receptor Target Info Inhibitor [528674]
Vasopressin V1b receptor Target Info Inhibitor [528674]
Oxytocin receptor Target Info Inhibitor [528674]
Vasopressin V1a receptor Target Info Inhibitor [528674]
KEGG Pathway Neuroactive ligand-receptor interaction
Vasopressin-regulated water reabsorptionhsa04020:Calcium signaling pathway
Vascular smooth muscle contractionhsa04020:Calcium signaling pathway
cAMP signaling pathway
Oxytocin signaling pathwayhsa04020:Calcium signaling pathway
Vascular smooth muscle contraction
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 (s) signalling events
Vasopressin regulates renal water homeostasis via AquaporinsR-HSA-388479:Vasopressin-like receptors
G alpha (q) signalling eventsR-HSA-388479:Vasopressin-like receptors
G alpha (q) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Regulation of Water Balance by Renal Aquaporins
Peptide GPCRs
GPCR ligand binding
GPCR downstream signalingWP455:GPCRs, Class A Rhodopsin-like
Gastrin-CREB signalling pathway via PKC and MAPK
Myometrial Relaxation and Contraction Pathways
Oxytocin signaling
GPCR downstream signaling
References
Ref 539389(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: 2189).
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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