Drug Information

Drug General Information
Drug ID
D09OML
Former ID
DNC013158
Drug Name
D[D-3-Pal2]AVP
Indication Discovery agent Investigative [539386]
Structure
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2D MOL

3D MOL
Formula
C45H63N15O11S2
Canonical SMILES
C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C<br />(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CN=CC=C4)C(=O)<br />NC(CCCN=C(N)N)C(=O)NCC(=O)N
InChI
1S/C45H63N15O11S2/c46-34(61)13-12-28-39(66)58-31(21-35(47)62)42(69)59-32(44(71)60-17-6-11-33(60)43(70)56-27(10-5-16-52-45(49)50)38(65)53-23-36(48)63)24-73-72-18-14-37(64)54-29(20-26-9-4-15-51-22-26)40(67)57-30(41(68)55-28)19-25-7-2-1-3-8-25/h1-4,7-9,15,22,27-33H,5-6,10-14,16-21,23-24H2,(H2,46,61)(H2,47,62)(H2,48,63)(H,53,65)(H,54,64)(H,55,68)(H,56,70)(H,57,67)(H,58,66)(H,59,69)(H4,49,50,52)/t27-,28-,29+,30-,31-,32-,33-/m0/s1
InChIKey
KEAHYTRPVNOHKL-ZHFJCBJKSA-N
PubChem Compound ID
44419027
Target and Pathway
Target(s) Vasopressin V1a receptor Target Info Inhibitor [528674]
Vasopressin V1b 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
Vascular smooth muscle contractionhsa04080:Neuroactive ligand-receptor interaction
Vasopressin-regulated water reabsorption
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
Regulation of Water Balance by Renal Aquaporins
GPCR downstream signaling
References
Ref 539386(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: 2184).
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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