minodronic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
calcium metabolism regulator, pharmaceutical aid 4074 180064-38-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • minodronic acid
  • minodronic acid hydrate
  • recalbon
  • minodronate
  • YM-529
  • YM529
  • Molecular weight: 322.15
  • Formula: C9H12N2O7P2
  • CLOGP: -0.24
  • LIPINSKI: 0
  • HAC: 9
  • HDO: 5
  • TPSA: 152.59
  • ALOGS: -1.57
  • ROTB: 4

Drug dosage:

None

ADMET properties:

PropertyValueReference
BA (Bioavailability) 0.01 % Kawashima H, Watanabe R, Esaki T, Kuroda M, Nagao C, Natsume-Kitatani Y, Ohashi R, Komura H, Mizuguchi K

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,JAK3,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MTOR,NTRK1,NTRK2,PDK1,PDK2,PIK3CB,PIK3CD,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ULK1 50
kinase-selectivity-class AURKA,AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,JAK2,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAPK7,PIK3CD,PIK3CG,PRKDC,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 25
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
July 11, 2011 PMDA

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Osteonecrosis of jaw 88.24 35.43 29 1186 39074 90588158
Atypical femur fracture 78.39 35.43 18 1197 6403 90620829
Hepatic function abnormal 57.31 35.43 22 1193 46266 90580966
Spinal compression fracture 54.14 35.43 16 1199 15162 90612070
Upper respiratory tract inflammation 40.81 35.43 9 1206 2663 90624569
Interstitial lung disease 40.61 35.43 20 1195 76385 90550847

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Osteonecrosis of jaw 92.54 30.85 33 1715 47984 110539567
Atypical femur fracture 70.78 30.85 17 1731 6202 110581349
Hepatic function abnormal 63.35 30.85 30 1718 89265 110498286
Spinal compression fracture 56.65 30.85 18 1730 18374 110569177
Interstitial lung disease 45.59 30.85 28 1720 139306 110448245
Upper respiratory tract inflammation 44.88 30.85 11 1737 4360 110583191

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

None

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Osteoporosis indication 64859006 DOID:11476




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 2.11 acidic
pKa2 6.18 acidic
pKa3 7.16 acidic
pKa4 10.96 acidic
pKa5 11.56 acidic
pKa6 5.65 Basic

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
Farnesyl pyrophosphate synthase Enzyme IC50 8.52 CHEMBL
Geranylgeranyl pyrophosphate synthase Enzyme Ki 5.74 CHEMBL
Farnesyl diphosphate synthase Enzyme IC50 5.96 CHEMBL
Geranylgeranyl pyrophosphate synthase Enzyme Ki 6.89 CHEMBL

External reference:

IDSource
D09198 KEGG_DRUG
C2825721 UMLSCUI
M0N PDB_CHEM_ID
CHEMBL319144 ChEMBL_ID
DB06548 DRUGBANK_ID
130956 PUBCHEM_CID
3164 IUPHAR_LIGAND_ID
7651 INN_ID
40SGR63TGL UNII
CHEBI:43806 CHEBI
C087958 MESH_SUPPLEMENTAL_RECORD_UI
40SGR63TGL INXIGHT DRUGS

Pharmaceutical products:

None