CLODRONIC ACID

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Synonyms
Status
Molecule Category Free-form
ATC M05BA02
UNII 0813BZ6866
EPA CompTox DTXSID8046959

Structure

InChI Key ACSIXWWBWUQEHA-UHFFFAOYSA-N
Smiles O=P(O)(O)C(Cl)(Cl)P(=O)(O)O
InChI
InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula CH4Cl2O6P2
Molecular Weight 244.89
AlogP 0.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 115.06
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 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 5.6
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
110 - - 3 -
Homo sapiens
- - - - 5.6
Mus musculus
- - - - 4-95.6
Rattus norvegicus
- - - - 21-70

Cross References

Resources Reference
ChEBI 110423
ChEMBL CHEMBL12318
DrugBank DB00720
DrugCentral 690
FDA SRS 0813BZ6866
Human Metabolome Database HMDB0014858
Guide to Pharmacology 9605
PharmGKB PA10239
PubChem 25419
SureChEMBL SCHEMBL18982
ZINC ZINC000029747100
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