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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1160571
CHEMBL1160571
Compound Name PYROPHOSPHORIC ACID
ChEMBL Synonyms Sodium Pyrophosphate | Pyrophosphoric Acid
Max Phase 0
Trade Names
Molecular Formula H4O7P2

Additional synonyms for CHEMBL1160571 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OP(=O)(O)OP(=O)(O)O
Standard InChI InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
Standard InChI Key XPPKVPWEQAFLFU-UHFFFAOYSA-N

Molecule Features

CHEMBL1160571 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:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are 7 structural alerts for CHEMBL1160571. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL1160571

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1160571. 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
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 1.000
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 1.000
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.994
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.980
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.914
CHEMBL2955 Sphingosine 1-phosphate receptor Edg-5 Homo sapiens 0.893
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 0.886
CHEMBL3892 Sphingosine 1-phosphate receptor Edg-3 Homo sapiens 0.865
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.837
CHEMBL4026 Signal transducer and activator of transcription 3 Homo sapiens 0.809
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.777
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.638
CHEMBL3975 Fructose-1,6-bisphosphatase Homo sapiens 0.623
CHEMBL4091 1-deoxyxylulose-5-phosphate reductoisomerase Escherichia coli K-12 0.616
CHEMBL2998 P2X purinoceptor 3 Homo sapiens 0.600
CHEMBL3691 Autotaxin Homo sapiens 0.561
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.532
CHEMBL5098 Glutamate carboxypeptidase II Rattus norvegicus 0.468



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4398 Purinergic receptor P2Y2 Homo sapiens 1.000
CHEMBL4714 Pyrimidinergic receptor P2Y6 Homo sapiens 1.000
CHEMBL2123 Pyrimidinergic receptor P2Y4 Homo sapiens 1.000
CHEMBL5720 P2Y purinoceptor 1 Meleagris gallopavo 1.000
CHEMBL4769 Geranylgeranyl pyrophosphate synthetase Homo sapiens 0.997
CHEMBL4518 Purinergic receptor P2Y14 Homo sapiens 0.996
CHEMBL3230 Sphingosine 1-phosphate receptor Edg-6 Homo sapiens 0.950
CHEMBL4315 Purinergic receptor P2Y1 Homo sapiens 0.858
CHEMBL5328 Thymidylate synthase Lactobacillus casei 0.853
CHEMBL1782 Farnesyl diphosphate synthase Homo sapiens 0.830
CHEMBL2135 P2X purinoceptor 2 Rattus norvegicus 0.761
CHEMBL2360 Hypoxanthine-guanine phosphoribosyltransferase Homo sapiens 0.746
CHEMBL4091 1-deoxyxylulose-5-phosphate reductoisomerase Escherichia coli K-12 0.734
CHEMBL4026 Signal transducer and activator of transcription 3 Homo sapiens 0.725
CHEMBL3724 Lysophosphatidic acid receptor Edg-4 Homo sapiens 0.703
CHEMBL2274 Sphingosine 1-phosphate receptor Edg-8 Homo sapiens 0.696
CHEMBL247 Human immunodeficiency virus type 1 reverse transcriptase Human immunodeficiency virus 1 0.662
CHEMBL2998 P2X purinoceptor 3 Homo sapiens 0.532
CHEMBL5440 Dehydrosqualene synthase Staphylococcus aureus 0.513
CHEMBL3693 Farnesyl pyrophosphate synthase Leishmania donovani 0.487

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
178 177.9432 -0.76 2 143.91 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 4 0 7 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.25 1.48 1.48 0 9 0.41

Compound Cross References

ChemSpider ChemSpider:XPPKVPWEQAFLFU-UHFFFAOYSA-N
PubChem SID: 4253134
Wikipedia Pyrophosphoric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1160571



ACToR 33943-49-6
ChEBI 29888
eMolecules 507677
FDA SRS 4E862E7GRQ
Guide to Pharmacology 3151
KEGG Ligand C00013
Mcule MCULE-7221126244
MolPort MolPort-003-932-741
Nikkaji J43.595C
PDBe PPV
PubChem 1023 21961011
PubChem: Thomson Pharma 15147267
SureChEMBL SCHEMBL3654

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