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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2074701
CHEMBL2074701
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C3H8O10P2

Additional synonyms for CHEMBL2074701 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC(COP(=O)(O)O)C(=O)OP(=O)(O)O
Standard InChI InChI=1S/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4 ...
Download InChI
Standard InChI Key LJQLQCAXBUHEAZ-UHFFFAOYSA-N

Sources

  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL2074701

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
266 265.9593 -1.91 5 170.82 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 10 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.36 - -4.56 -10.77 0 15 0.35

Structural Alerts

There are 6 structural alerts for CHEMBL2074701. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LJQLQCAXBUHEAZ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2074701



BindingDB 50420198
ChEBI 89363
ChemicalBook CB01235931
Human Metabolome Database HMDB0062758 HMDB0001270
IBM Patent System 422EDCE878961F747352D6254B7089AD
PubChem 683
PubChem: Thomson Pharma 15189150
SureChEMBL SCHEMBL50423

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