ETIDRONIC ACID

Search structure
Synonyms:
Status: Approved (1977)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M05BA01
UNII: M2F465ROXU

Structure
InChI Key DBVJJBKOTRCVKF-UHFFFAOYSA-N
Smile CC(O)(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H8O7P2
Molecular Weight 206.03
AlogP -0.99
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 2.0
Polar Surface Area 135.29
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 11.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 3 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 4907
ChEMBL CHEMBL871
DrugBank DB01077
DrugCentral 1098
EPA CompTox DTXSID6023028
FDA SRS M2F465ROXU
Human Metabolome Database HMDB0015210
Guide to Pharmacology 7184
KEGG C07736
PDB 911
PharmGKB PA449548
PubChem 3305
SureChEMBL SCHEMBL18607
ZINC ZINC000003830813
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