ZOLEDRONIC ACID

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC M05BA08
UNII 6XC1PAD3KF
EPA CompTox DTXSID10168029

Structure

InChI Key XRASPMIURGNCCH-UHFFFAOYSA-N
Smiles O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O
InChI
InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10N2O7P2
Molecular Weight 272.09
AlogP -1.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 153.11
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Farnesyl diphosphate synthase inhibitor INHIBITOR FDA PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- 62-316 - - -
Enzyme Transferase
- 0.2399-660 - 0.07-260 38-91.1
Unclassified protein
486.6 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 38 - - -
Homo sapiens
486.6 2-475.3 - 0.07-85.9 38-91.1
Leishmania major
- 110 - 10-11 -
Mus musculus
- 2-34 - - -
Plasmodium vivax
- 130-794.33 - - -
Rattus norvegicus
- 0.2399 - - -
Saccharomyces cerevisiae
- 660 - 260 -
Sulfolobus solfataricus
- 90 - - -

Target Conservation

Protein: Farnesyl diphosphate synthase
Description: Farnesyl pyrophosphate synthase
Organism : Homo sapiens
P14324 ENSG00000160752

Cross References

Resources Reference
CAS NUMBER 165800-06-6
ChEBI 46557
ChEMBL CHEMBL924
DrugBank DB00399
DrugCentral 2868
FDA SRS 6XC1PAD3KF
Human Metabolome Database HMDB0014543
Guide to Pharmacology 3177
KEGG D08689
PDB ZOL
PharmGKB PA10235
PubChem 121586
SureChEMBL SCHEMBL19054
ZINC ZINC000003803652
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