incadronic 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 1431 124351-85-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • YM-21175-1
  • bisphonal
  • incadronic acid
  • cimadronate
  • cimadronic acid
  • icandronate
  • incadronate
  • incadronate disodium hydrate
  • incadronate disodium
  • YM-175
  • YM175
increases serum 1,25-dihydroxyvitamin D in rats via stimulating renal 1-hydroxylase activity; structure given in first source
  • Molecular weight: 287.19
  • Formula: C8H19NO6P2
  • CLOGP: 0.25
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 5
  • TPSA: 127.09
  • ALOGS: -1.36
  • ROTB: 4

Drug dosage:

None

ADMET properties:

PropertyValueReference
BA (Bioavailability) 1 % Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
Vd (Volume of distribution) 0.24 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 2.16 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.90 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 1.82 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AKT3,ALK,AURKA,AURKC,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CHUK,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT1,FLT3,GRK2,GSK3B,IGF1R,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K1,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK10,MAPK7,MAPK8,MAPK9,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CD,PIM1,PIM2,PRKCD,PRKDC,SIK2,SIK3,SRC,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 71
kinase-selectivity-class AXL,BRAF,CDK4,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,JAK2,MAP2K6,MAP3K14,MAP3K2,MAPK7,PIK3CD,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 21
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1997 PMDA Astellas

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D050071 Bone Density Conservation Agents

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

DiseaseRelationSNOMED_IDDOID
Humoral hypercalcemia of malignancy indication 47709007
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 3.95 acidic
pKa2 4.93 acidic
pKa3 9.0 acidic
pKa4 12.0 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 INHIBITOR IC50 7.52 SCIENTIFIC LITERATURE SCIENTIFIC LITERATURE
Farnesyl pyrophosphate synthase Enzyme IC50 6.80 CHEMBL
Vacuolar-type proton translocating pyrophosphatase 1 Enzyme IC50 4.35 CHEMBL

External reference:

IDSource
D08073 KEGG_DRUG
C1881172 UMLSCUI
CHEBI:135189 CHEBI
CHEMBL53950 ChEMBL_ID
DB06255 DRUGBANK_ID
3699 PUBCHEM_CID
C071542 MESH_SUPPLEMENTAL_RECORD_UI
7122 INN_ID
G5C4M8847E UNII
138330-18-4 SECONDARY_CAS_RN
3174 IUPHAR_LIGAND_ID

Pharmaceutical products:

None