MINODRONIC ACID

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Synonyms
Status
Molecule Category Free-form
UNII 40SGR63TGL
EPA CompTox DTXSID4048779

Structure

InChI Key VMMKGHQPQIEGSQ-UHFFFAOYSA-N
Smiles O=P(O)(O)C(O)(Cc1cnc2ccccn12)P(=O)(O)O
InChI
InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H12N2O7P2
Molecular Weight 322.15
AlogP -0.12
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 152.59
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
Farnesyl diphosphate synthase inhibitor INHIBITOR PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- 1.9-670 - 130 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.9-3 - - -
Saccharomyces cerevisiae
- 340 - 130 -
Sulfolobus solfataricus
- 50 - - -

Target Conservation

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

Cross References

Resources Reference
ChEMBL CHEMBL319144
DrugBank DB06548
DrugCentral 4074
FDA SRS 40SGR63TGL
Guide to Pharmacology 3164
PDB M0N
SureChEMBL SCHEMBL145238
ZINC ZINC000003803518
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