Status: Phase 2
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 4E862E7GRQ

Structure

InChI Key XPPKVPWEQAFLFU-UHFFFAOYSA-N
Smile O=P(O)(O)OP(=O)(O)O
InChI
InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula H4O7P2
Molecular Weight 177.97
AlogP -0.81
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 124.29
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 9.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - 29800-40500 -

Cross References

Resources Reference
ChEBI 29888
ChEMBL CHEMBL1160571
DrugBank DB04160
EPA CompTox DTXSID4075035
FDA SRS 4E862E7GRQ
Human Metabolome Database HMDB0000250
Guide to Pharmacology 3151
KEGG C00013
PDB PPV
SureChEMBL SCHEMBL3654
ZINC ZINC000006827695