Drug Information

Drug General Information
Drug ID
D09RIE
Former ID
DNC013177
Drug Name
D[Cha4]AVP
Indication Discovery agent Investigative [539388]
Formula
C50H71N13O11S2
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(CCC<br />N=C(N)N)C(=O)NCC(=O)N)CC(=O)N
InChI
1S/C50H71N13O11S2/c51-40(65)26-37-47(72)62-38(49(74)63-21-8-14-39(63)48(73)58-33(13-7-20-55-50(53)54)43(68)56-27-41(52)66)28-76-75-22-19-42(67)57-34(25-31-15-17-32(64)18-16-31)44(69)59-35(23-29-9-3-1-4-10-29)45(70)60-36(46(71)61-37)24-30-11-5-2-6-12-30/h1,3-4,9-10,15-18,30,33-39,64H,2,5-8,11-14,19-28H2,(H2,51,65)(H2,52,66)(H,56,68)(H,57,67)(H,58,73)(H,59,69)(H,60,70)(H,61,71)(H,62,72)(H4,53,54,55)/t33-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKey
ZKYCVZNKBXGNEK-ZTYVOHGWSA-N
PubChem Compound ID
44419028
Target and Pathway
Target(s) Vasopressin V2 receptor Target Info Inhibitor [528674]
Vasopressin V1a receptor Target Info Inhibitor [528674]
Vasopressin V1b receptor Target Info Inhibitor [528674]
Oxytocin 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 pathway
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 539388(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: 2187).
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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