Details of the Drug

General Information of Drug (ID: DMPVI3A)

Drug Name

Trisodium phosphate

Synonyms

TRISODIUM PHOSPHATE; 7601-54-9; Sodium orthophosphate; Tromete; Tribasic sodium phosphate; Phosphoric acid, trisodium salt; Oakite; Trisodium orthophosphate; Phosphoric acid trisodium salt; Trinatriumphosphat; Nutrifos STP; Tertiary sodium phosphate; Dri-Tri; Antisal 4; Sodium phosphate, anhydrous; Tribasic sodium orthophosphate; Caswell No. 898; Sodium tertiary phosphate; Sodium phosphate (VAN); UNII-SX01TZO3QZ; Emulsiphos 440/660; Trinatriumphosphat [German]; Trisodium phosphate anhydrous; Sodium phosphate (Na3PO4); Sodium ortho

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

163.941

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

0

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: Na3O4P
IUPAC Name: trisodium;phosphate
Canonical SMILES: [O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]
InChI: InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3
InChIKey: RYFMWSXOAZQYPI-UHFFFAOYSA-K

Cross-matching ID

PubChem CID: 24243
ChEBI ID: CHEBI:37583
CAS Number: 7601-54-9
TTD ID: D01DOW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase IV (CA-IV)	TTZHA0O	CAH4_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Inorganic pyrophosphatase (PPA1)	OTHZK1QB	IPYR_HUMAN	Biotransformations	[2]

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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
Carbonic anhydrase IV (CA-IV)	DTT	CA4	1.58E-77	-2.02	-1.77

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with phosphates, carbamoyl phosphate, and the phosphonate antiviral dru... Bioorg Med Chem Lett. 2004 Dec 6;14(23):5763-7.
2	High-throughput assay for inorganic pyrophosphatases using the cytosolic enzymes of Saccharomyces cerevisiae and human as an example. Protein Expr Purif. 2000 Apr;18(3):303-9. doi: 10.1006/prep.1999.1189.