trisodium phosphate

ID: ALA363100

Chembl Id: CHEMBL363100

Max Phase: Unknown

Molecular Formula: Na3O4P

Molecular Weight: 163.94

Molecule Type: Small molecule

Associated Items:

Names and Identifiers

Synonyms: Sodium phosphate (tribasic) | Sodium phosphate tribasic | Sodium phosphate, tribasic | Sodium phosphate,tribasic | Tribasic sodium phosphate | Tribasic sodium-phosphate | Trisodium phosphate | E-339(III) | INS-339(III) | NSC-215202

Canonical SMILES:  O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]

Standard InChI:  InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3

Standard InChI Key:  RYFMWSXOAZQYPI-UHFFFAOYSA-K

Alternative Forms

  1. Parent:

Associated Targets(Human)

CA1 Tclin Carbonic anhydrase I (13240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA2 Tclin Carbonic anhydrase II (17698 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA4 Tclin Carbonic anhydrase IV (2163 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA5B Tclin Carbonic anhydrase V (54 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CA9 Tclin Carbonic anhydrase IX (8255 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: YesAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Calculated Properties

Molecular Weight: 163.94Molecular Weight (Monoisotopic): 163.9227AlogP: #Rotatable Bonds:
Polar Surface Area: Molecular Species: HBA: HBD:
#RO5 Violations: HBA (Lipinski): HBD (Lipinski): #RO5 Violations (Lipinski):
CX Acidic pKa: CX Basic pKa: CX LogP: CX LogD:
Aromatic Rings: Heavy Atoms: QED Weighted: Np Likeness Score:

References

1. Rusconi S, Innocenti A, Vullo D, Mastrolorenzo A, Scozzafava A, Supuran CT..  (2004)  Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with phosphates, carbamoyl phosphate, and the phosphonate antiviral drug foscarnet.,  14  (23): [PMID:15501037] [10.1016/j.bmcl.2004.09.064]
2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date,