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]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

957.4

Logarithm of the Partition Coefficient

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

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]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

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.