Structure

InChI Key WRUUGTRCQOWXEG-UHFFFAOYSA-N
Smile NCCC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C3H11NO7P2/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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H11NO7P2
Molecular Weight 235.07
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 200-1932 - 56-331 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bone Diseases 4 D001847 ClinicalTrials
Multiple Myeloma 3 D009101 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Osteoporosis 1 D010024 ClinicalTrials
Low Back Pain 1 D017116 ClinicalTrials

Cross References

Resources Reference
ChEBI 7903
ChEMBL CHEMBL834
DrugBank DB00282
DrugCentral 2048
EPA CompTox DTXSID4023414
FDA SRS OYY3447OMC
Human Metabolome Database HMDB0014427
Guide to Pharmacology 7259
KEGG C07395
PDB 210
PharmGKB PA450767
PubChem 4674
SureChEMBL SCHEMBL18361
ZINC ZINC000003812862