Structure

InChI Key CZYWHNTUXNGDGR-UHFFFAOYSA-L
Smiles NCCC(O)(P(=O)([O-])O)P(=O)([O-])O.O.O.O.O.O.[Na+].[Na+]
InChI
InChI=1S/C3H11NO7P2.2Na.5H2O/c4-2-1-3(5,12(6,7)8)13(9,10)11;;;;;;;/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11);;;5*1H2/q;2*+1;;;;;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H19NNa2O12P2
Molecular Weight 369.11
AlogP -1.66
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 4.0
Polar Surface Area 161.31
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Mechanism of Action Action Reference
Farnesyl diphosphate synthase inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed FDA

Target Conservation

Protein: Farnesyl diphosphate synthase

Description: Farnesyl pyrophosphate synthase

Organism : Homo sapiens

P14324 ENSG00000160752

Cross References

Resources Reference
ChEBI 7904
ChEMBL CHEMBL3989401
FDA SRS 8742T8ZQZA
PubChem 60342
SureChEMBL SCHEMBL506809