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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2107557
CHEMBL2107557
Compound Name SODIUM TRIMETAPHOSPHATE
ChEMBL Synonyms SODIUM TRIMETAPHOSPHATE
Max Phase 0
Trade Names
Molecular Formula Na3O9P3

Additional synonyms for CHEMBL2107557 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [Na+].[Na+].[Na+].[O-]P1(=O)OP(=O)([O-])OP(=O)([O-])O1
Standard InChI InChI=1S/3Na.H3O9P3/c;;;1-10(2)7-11(3,4)9-12(5,6)8-10/h;;;(H ...
Download InChI
Standard InChI Key UGTZMIPZNRIWHX-UHFFFAOYSA-K

Sources

  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2107557

Molecule Features

CHEMBL2107557 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unknown

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2107557. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.226
CHEMBL3835 Serine/threonine-protein kinase NEK2 Homo sapiens 0.210
CHEMBL1741195 Enteropeptidase Homo sapiens 0.208

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3835 Serine/threonine-protein kinase NEK2 Homo sapiens 0.222

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
239.9 239.899 0.35 0 139.59 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 3 0 9 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
.04 - 4.07 -1.44 0 12 0.51

Structural Alerts

There are 7 structural alerts for CHEMBL2107557. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:UGTZMIPZNRIWHX-UHFFFAOYSA-K

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2107557



ACToR 7785-84-4
ChemicalBook CB4287241
eMolecules 6885558
EPA CompTox Dashboard DTXSID7052789
FDA SRS 3IH6169RL0
Nikkaji J268.687B J2.735.965E
PubChem 24579
PubChem: Thomson Pharma 14874037
SureChEMBL SCHEMBL1499247

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/UGTZMIPZNRIWHX-UHFFFAOYSA-K spacer
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