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Compound Detail

CHEMBL450079

SODIUM PYROPHOSPHATE
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O=P([O-])([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450079
Name SODIUM PYROPHOSPHATE
Phase Preclinical
Structure Type MOL
InChI Key FQENQNTWSFEDLI-UHFFFAOYSA-J
Parent Compound CHEMBL1160571
Active Moiety CHEMBL1160571

Known Names

NSC-56751 Sodium pyrophosphate Tetrasodium pyrophosphate
0
Targets
62
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

178.0
MW (Da)
-0.81
ALogP
3
HBA
4
HBD
124.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1977

Extended Properties

Molecular Formula Na4O7P2
MW 265.90
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.89

Activity Summary

Ki 61 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27914949 10.1016/j.bmc.2016.11.021 Unchecked 4
26145820 10.1016/j.bmc.2015.06.021 Unchecked 3
31268699 10.1021/acs.jmedchem.9b00825 Butyrophilin subfamily 3 member A1 3
23414801 10.1016/j.bmcl.2013.01.087 Unchecked 2
23414807 10.1016/j.bmcl.2013.01.084 Unchecked 2
28238511 10.1016/j.bmc.2017.02.032 Unchecked 2
28754318 10.1016/j.bmc.2017.07.033 Unchecked 2
22835873 10.1016/j.bmcl.2012.06.106 Unchecked 2
23790722 10.1016/j.bmc.2013.05.058 Unchecked 2
24461298 10.1016/j.bmcl.2013.12.124 Unchecked 2
25168748 10.1016/j.bmcl.2014.08.014 Unchecked 2
21570835 10.1016/j.bmcl.2011.04.105 Unchecked 2
21163660 10.1016/j.bmc.2010.11.031 Carbonic anhydrase 2 1
21570835 10.1016/j.bmcl.2011.04.105 Carbonic anhydrase 2 1
21570835 10.1016/j.bmcl.2011.04.105 Carbonic anhydrase 1 1
21163660 10.1016/j.bmc.2010.11.031 Unchecked 1
20137947 10.1016/j.bmcl.2010.01.081 Carbonic anhydrase 14 1
20137947 10.1016/j.bmcl.2010.01.081 Carbonic anhydrase 12 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 13 1
19269822 10.1016/j.bmcl.2009.02.088 Carbonic anhydrase 4 1

Data from ChEMBL 36 via Core Engine