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]
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
CHEMBL34683
CAS Number
7558-79-4
UNII
22ADO53M6F
DrugBank ID
DB14502
TTD ID
D0Q4VO
INTEDE ID
DR0004
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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]

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 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
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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.