Details of the Drug

General Information of Drug (ID: DMGRXD4)

Drug Name

Orthovanadate

Synonyms

Vanadic acid; Vanadiumsaeure; trihydroxy(oxo)vanadium; H3VO4; CHEMBL50626; CHEBI:27273; [VO(OH)3]; trihydroxidooxidovanadium; S6508_SIGMA; trihydrogen(tetraoxidovanadate); AC1L9D41; WQEVDHBJGNOKKO-UHFFFAOYSA-K; BDBM50284960

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

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

117.963

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

0

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: H3O4V
IUPAC Name: trihydroxy(oxo)vanadium
Canonical SMILES: O[V](=O)(O)O
InChI: InChI=1S/3H2O.O.V/h3*1H2;;/q;;;;+3/p-3
InChIKey: WQEVDHBJGNOKKO-UHFFFAOYSA-K

Cross-matching ID

PubChem CID: 417214
ChEBI ID: CHEBI:27273
TTD ID: D0N4XG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Protein-tyrosine phosphatase sigma (R-PTP-sigma)	TTCWXFA	PTPRS_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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
Protein-tyrosine phosphatase sigma (R-PTP-sigma)	DTT	PTPRS	1.17E-01	0.21	0.65

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Human protein tyrosine phosphatase-sigma: alternative splicing and inhibition by bisphosphonates. J Bone Miner Res. 1996 Apr;11(4):535-43.