tiludronic acid Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
calcium metabolism regulator, pharmaceutical aid 2666 89987-06-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • tiludronic acid
  • tiludronate
  • tiludronate disodium
a bone resorption inhibitor; an antihypercalcemic agent; used in the tratment of Paget's disease; used in the treatment and prevention of osteoporosis; structure given in first source
  • Molecular weight: 318.60
  • Formula: C7H9ClO6P2S
  • CLOGP: 0.26
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 4
  • TPSA: 115.06
  • ALOGS: -1.66
  • ROTB: 4

  • Status: OFM

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

DoseUnitRoute
0.40 g O

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 3 Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 60 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 17.52 ┬ÁM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
BA (Bioavailability) 6 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 0.23 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 0.40 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.10 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 7.70 hours Lombardo F, Berellini G, Obach RS

Approvals:

DateAgencyCompanyOrphan
March 7, 1997 FDA

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC M05BA05 MUSCULO-SKELETAL SYSTEM
DRUGS FOR TREATMENT OF BONE DISEASES
DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
Bisphosphonates
FDA EPC N0000175579 Bisphosphonate
FDA Chemical/Ingredient N0000007707 Diphosphonates
MeSH PA D050071 Bone Density Conservation Agents

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Osteitis deformans indication 2089002 DOID:5408
Gastritis contraindication 4556007 DOID:4029
Hypocalcemia contraindication 5291005
Peptic ulcer contraindication 13200003 DOID:750
Hyperphosphatemia contraindication 20165001 DOID:0050459
Vitamin D deficiency contraindication 34713006
Dysphagia contraindication 40739000
Periodontitis contraindication 41565005 DOID:824
Acute nephropathy contraindication 58574008
Stricture of esophagus contraindication 63305008
Blood coagulation disorder contraindication 64779008 DOID:1247
Hyperparathyroidism contraindication 66999008 DOID:13543
Fracture of femur contraindication 71620000
Duodenitis contraindication 72007001 DOID:8643
Kidney disease contraindication 90708001 DOID:557
Bed-ridden contraindication 160685001
Esophageal dysmotility contraindication 266434009 DOID:9192
Anemia contraindication 271737000 DOID:2355
Primary malignant neoplasm contraindication 372087000
Aseptic necrosis of bone of jaw contraindication 441809006
Esophageal Obstruction contraindication
Invasive Dental Procedure contraindication

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 2.19 acidic
pKa2 6.26 acidic
pKa3 7.24 acidic
pKa4 11.31 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Matrix metalloproteinase-14 Enzyme IC50 4.52 CHEMBL
72 kDa type IV collagenase Enzyme IC50 5.14 CHEMBL
Neutrophil collagenase Enzyme IC50 4.49 CHEMBL
V-type proton ATPase 116 kDa subunit a isoform 3 Enzyme WOMBAT-PK
Tyrosine-protein phosphatase non-receptor type 1 Enzyme WOMBAT-PK

External reference:

IDSource
C0043611 UMLSCUI
D02285 KEGG_DRUG
6PNS59HP4Y UNII
6325 INN_ID
422263009 SNOMEDCT_US
11476 RXNORM
395905009 SNOMEDCT_US
006071 NDDF
149845-07-8 SECONDARY_CAS_RN
CHEMBL1350 ChEMBL_ID
DB01133 DRUGBANK_ID
CHEMBL1200448 ChEMBL_ID
CHEBI:9598 CHEBI
60937 PUBCHEM_CID
7604 IUPHAR_LIGAND_ID
C058651 MESH_SUPPLEMENTAL_RECORD_UI

Pharmaceutical products:

None