Details of the Drug

General Information of Drug (ID: DMQL0KF)

Drug Name

Vanadate

Synonyms

Ammonium metavanadate; 7803-55-6; Ammonium vanadate(V); UNII-FL85PX638G; FL85PX638G; Ammonium metavanadate, ACS reagent; Ammoniummetavanadate; Ammonium metavanadate, 99.5%, for analysis; Ammonium metavanadate, 99.996%, (trace metal basis); Ammonium meta-Vanadate; Vanadate (VO31-), ammonium (1:1); AC1LANGP; ammonium vanadiumoylolate; H4NO3V; EC 232-261-3; azanium oxido(dioxo)vanadium; KS-00000WUM; UNTBPXHCXVWYOI-UHFFFAOYSA-O; MolPort-044-723-987; MolPort-003-925-733; MFCD00011430; AKOS030228605; AMMONIUM VANADATE (META), NH4VO3

Indication

Disease Entry	ICD 11	Status	REF
Psoriatic arthritis	FA21	Phase 3	[1]
Rheumatoid arthritis	FA20	Phase 3	[1]
Plaque psoriasis	EA90.0	Application submitted	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

116.978

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: H4NO3V
IUPAC Name: azanium;oxido(dioxo)vanadium
Canonical SMILES: [NH4+].[O-][V](=O)=O
InChI: InChI=1S/H3N.3O.V/h1H3;;;;/q;;;-1;/p+1
InChIKey: UNTBPXHCXVWYOI-UHFFFAOYSA-O

Cross-matching ID

PubChem CID: 516859
CAS Number: 7803-55-6
TTD ID: D08NCO

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sarcoplasmic/endoplasmic reticulum calcium ATPase (ATP2A)	TTZVSJ2	NOUNIPROTAC	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 1A1 (CYP1A1)	OTE4EFH8	CP1A1_HUMAN	Protein Interaction/Cellular Processes	[3]
NAD(P)H dehydrogenase 1 (NQO1)	OTZGGIVK	NQO1_HUMAN	Protein Interaction/Cellular Processes	[4]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	Expression and functional characterization of a Plasmodium falciparum Ca2+-ATPase (PfATP4) belonging to a subclass unique to apicomplexan organisms. J Biol Chem. 2001 Apr 6;276(14):10782-7.
3	Transcriptional and posttranscriptional regulation of CYP1A1 by vanadium in human hepatoma HepG2 cells. Cell Biol Toxicol. 2010 Oct;26(5):421-34. doi: 10.1007/s10565-010-9153-7. Epub 2010 Mar 11.
4	Modulation of NAD(P)H:quinone oxidoreductase by vanadium in human hepatoma HepG2 cells. Toxicol In Vitro. 2010 Sep;24(6):1554-61.