TILUDRONIC ACID

Search structure
Synonyms:
Status: Approved (1997)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: M05BA05
UNII: 6PNS59HP4Y

Structure
InChI Key DKJJVAGXPKPDRL-UHFFFAOYSA-N
Smile O=P(O)(O)C(Sc1ccc(Cl)cc1)P(=O)(O)O
InChI
InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H9ClO6P2S
Molecular Weight 318.61
AlogP 2.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 115.06
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 30500 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Otosclerosis 3 D010040 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 89987-06-4
ChEBI 9598
ChEMBL CHEMBL1350
DrugBank DB01133
DrugCentral 2666
EPA CompTox DTXSID10237966
FDA SRS 6PNS59HP4Y
Human Metabolome Database HMDB0015265
Guide to Pharmacology 7604
KEGG C08141
PharmGKB PA451688
PubChem 60937
SureChEMBL SCHEMBL18988
ZINC ZINC000001531010
CONTENTS