Details of the Drug

General Information of Drug (ID: DM1G4S9)

Drug Name

SODIUM PHOSPHATE, DIBASIC, ANHYDROUS

Synonyms

7558-79-4; DISODIUM PHOSPHATE; Disodium hydrogen phosphate; Disodium hydrogenorthophosphate; Sodium phosphate dibasic; Acetest; Soda phosphate; Disodium orthophosphate; Sodium hydrogenphosphate; Sodium hydrogen phosphate; Phosphoric acid, disodium salt; Disodium acid phosphate; Phosphate of soda; sec-Sodium phosphate; Disodium acid orthophosphate; Sodium monohydrogen phosphate; Caswell No. 778; Disodium hydrophosphate; Disodium monohydrogen phosphate; Disodium phosphoric acid; FEMA Number 2398

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

141.959

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

0

Hydrogen Bond Donor Count

1

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: HNa2O4P
IUPAC Name: disodium;hydrogen phosphate
Canonical SMILES: OP(=O)([O-])[O-].[Na+].[Na+]
InChI: InChI=1S/2Na.H3O4P/c;;1-5(2,3)4/h;;(H3,1,2,3,4)/q2*+1;/p-2
InChIKey: BNIILDVGGAEEIG-UHFFFAOYSA-L

Cross-matching ID

PubChem CID: 24203
ChEBI ID: CHEBI:34683
CAS Number: 7558-79-4
TTD ID: D0Q4VO
INTEDE ID: DR0004

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-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Steroid 17-alpha-monooxygenase (CYP17A1)_{Main DME}	DEX2KIA	CP17A_HUMAN	Substrate	[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
Steroid 17-alpha-monooxygenase (CYP17A1)	DME	CYP17A1	2.29E-05	-8.31E-02	-3.09E-01

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	Transcriptional complexes at the CYP17 CRS. Endocr Res. 2002 Nov;28(4):551-8.