Details of the Drug

General Information of Drug (ID: DMLT1N3)

• Drug Name: decavanadate
• Synonyms: Decavanidate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight; 957.4
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 28
• Chemical Identifiers:
  Formula: O28V10-6
  IUPAC Name: [5,13-bis[(dioxido(oxo)vanadio)oxy]-1,3,5,7,9,11,13-heptaoxo-2,4,6,8,10,12,14,15,16-nonaoxa-1lambda5,3lambda5,5lambda5,7lambda5,9lambda5,11lambda5,13lambda5-heptavanadatricyclo[9.3.1.13,7]hexadecan-9-yl]oxy-dioxido-oxovanadium
  Canonical SMILES: [O-][V](=O)([O-])O[V]1(=O)O[V]2(=O)O[V]3(=O)O[V](=O)(O[V](=O)(O3)O[V](=O)([O-])[O-])O[V](=O)(O[V](=O)(O2)O1)O[V](=O)([O-])[O-]
  InChI: InChI=1S/28O.10V/q;;;;;;;;;;;;;;;;;;;;;;6*-1
  InChIKey: OSBWBKHFRWKREF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 5311062
  TTD ID: D06KHR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
IP3 receptor isoform 1 (ITPR1)	TT5HWAT	ITPR1_HUMAN	Antagonist	[2]
IP3 receptor isoform 2 (IP3R2)	TTK9OV3	ITPR2_HUMAN	Antagonist	[3]
IP3 receptor isoform 3 (ITPR3)	TTH1769	ITPR3_HUMAN	Antagonist	[4]
Long transient receptor potential channel 4 (TRPM4)	TTJ2HKA	TRPM4_HUMAN	Activator	[5]
P2X purinoceptor 7 (P2RX7)	TT473XN	P2RX7_HUMAN	Antagonist	[6]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
P2X purinoceptor 7 (P2RX7)	DTT	P2RX7	1.11E-06	0.37	0.49

References

• [1] URL: 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: 2459).
• [2] URL: 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. (Target id: 743).
• [3] URL: 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. (Target id: 744).
• [4] URL: 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. (Target id: 745).
• [5] Decavanadate modulates gating of TRPM4 cation channels. J Physiol. 2004 Nov 1;560(Pt 3):753-65.
• [6] Decavanadate, a P2X receptor antagonist, and its use to study ligand interactions with P2X7 receptors. Eur J Pharmacol. 2006 Mar 18;534(1-3):19-29.
• [7] Efficacy and safety of CE-224,535, an antagonist of P2X7 receptor, in treatment of patients with rheumatoid arthritis inadequately controlled by methotrexate. J Rheumatol. 2012 Apr;39(4):720-7.
• [8] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [9] Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
• [10] Molecular and functional properties of P2X receptors ecent progress and persisting challenges. Purinergic Signal. 2012 September; 8(3): 375-417.
• [11] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [12] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [13] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [14] Pharmacological characterization of a novel centrally permeable P2X7 receptor antagonist: JNJ-47965567. Br J Pharmacol. 2013 Oct;170(3):624-40.
• [15] P2X7 receptor antagonists: a patent review (2010-2015).Expert Opin Ther Pat. 2017 Mar;27(3):257-267.
• [16] Intracellular nucleotides and polyamines inhibit the Ca2+-activated cation channel TRPM4b. Pflugers Arch. 2004 Apr;448(1):70-5.
• [17] Phosphatidylinositol 4,5-bisphosphate rescues TRPM4 channels from desensitization. J Biol Chem. 2005 Nov 25;280(47):39185-92.
• [18] A pyrazole derivative potently inhibits lymphocyte Ca2+ influx and cytokine production by facilitating transient receptor potential melastatin 4 ch... Mol Pharmacol. 2006 Apr;69(4):1413-20.
• [19] 9-phenanthrol inhibits human TRPM4 but not TRPM5 cationic channels. Br J Pharmacol. 2008 Apr;153(8):1697-705.