RISEDRONIC ACID

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Synonyms
Status
Molecule Category Free-form
ATC M05BA07
UNII KM2Z91756Z
EPA CompTox DTXSID2023563

Structure

InChI Key IIDJRNMFWXDHID-UHFFFAOYSA-N
Smiles O=P(O)(O)C(O)(Cc1cccnc1)P(=O)(O)O
InChI
InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H11NO7P2
Molecular Weight 283.11
AlogP -0.37
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 148.18
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 0.36-860 - 0.36-82.2 17-93.5
Enzyme
- 0.36-860 - 0.36-82.2 17-93.5
Unclassified protein
80 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Escherichia coli
- 38 - - -
Homo sapiens
80 0.36-860 - 0.36-82.2 17-93.5
Leishmania major
- 169.82-170 - 16-17 -
Mus musculus
- 300 - - -
Plasmodium vivax
- 590-630.96 - - -
Rattus norvegicus
- - - - 44-48
Sulfolobus solfataricus
- 90 - - -
Toxoplasma gondii
- 74-490 - - -
Trypanosoma brucei
- 300 - - -
Trypanosoma brucei rhodesiense
- - - - 0-100
Trypanosoma cruzi
- 27-27 - - 100

Cross References

Resources Reference
CAS NUMBER 105462-24-6
ChEBI 8869
ChEMBL CHEMBL923
DrugBank DB00884
DrugCentral 2387
FDA SRS KM2Z91756Z
Human Metabolome Database HMDB0015022
Guide to Pharmacology 3176
KEGG C08233
PDB RIS
PharmGKB PA451255
PubChem 5245
SureChEMBL SCHEMBL18378
ZINC ZINC000001531009
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