General
Preferred name
Ibandronate
Synonyms
IBANDRONIC ACID ()
IBANDRONATE SODIUM ()
BM 21.0955 ()
IBANDRONIC ACID MONOSODIUM SALT MONOHYDRATE ()
Ibandronate (Sodium) ()
Boniva ()
Bondronat ()
Ibandronate sodium salt ()
RPR-102289A ()
BM-210955 ()
BM-21.0955 ()
Bondronat monohydrate ()
Boniva monohydrate ()
Ibandronate sodium monohydrate ()
Ibandronate sodium ()
Ibandronate (Sodium Monohydrate) ()
ibandronate, Lanco Biosciences ()
BM-21.0955, BM-210955, RPR-102289A ()
NSC-759815 ()
Ibandronate sodium hydrate ()
BM 21.0955 NA H20 ()
Ibandronate monosodium monohydrate ()
Ibandronic sodium monohydrate ()
Ibandronic acid sodium salt ()
Ibandronic acid sodium salt monohydrate ()
Ibandronic acid accord ()
Bondenza ()
Iasibon ()
Ibandronic acid sandoz ()
Quodixor ()
NSC-722623 ()
Ibandronic acid teva ()
Bonviva ()
Ibandronate (sodium hydrate) ()
P&D ID
PD010067
CAS
138844-81-2
114084-78-5
138926-19-9
Tags
natural product
drug
available
Approved by
EMA
FDA
First approval
2003
1996
Drug Status
investigational
approved
withdrawn
Drug indication
Antihypercalcemic
Bone Resorption Inhibitor
Osteoporosis
Max Phase
Phase 4
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Ibandronic acid is a potent bisphosphonate drug. (GtoPdb)
DESCRIPTION Ibandronate sodium is a potent bisphosphonate drug developed by Hoffman La Roche and used in the prevention and treatment of osteoporosis and metastasis-associated skeletal fractures in people with cancer. It may also be used to treat hypercalcemia (elevated blood calcium levels). Ibandronate is indicated for the treatment and prevention of osteoporosis in post-menopausal women. In May 2003, the U.S. Food and Drug Administration (FDA) approved Ibandronate as a daily treatment for post-menopausal osteoporosis. Ibandronate is efficacious for the prevention of metastasis-related bone fractures in multiple myeloma, breast cancer, and certain other cancers. (BOC Sciences Bioactive Compounds)
DESCRIPTION Farnesyl diphosphate synthase inhibitor; inhibits bone resorption. (LOPAC library)
Cell lines
1
Organisms
3
Compound Sets
32
AdooQ Bioactive Compound Library
A11870
BOC Sciences Bioactive Compounds
ibandronate-sodium-cas-138844-81-2-item-84-185861
Cayman Chemical Bioactives
21361
ChEMBL Approved Drugs
CHEMBL3989569
CHEMBL997
ChEMBL Drugs
CHEMBL3989569
CHEMBL997
Concise Guide to Pharmacology 2017/18
3059
Concise Guide to Pharmacology 2019/20
3059
Concise Guide to Pharmacology 2021/22
3059
Concise Guide to Pharmacology 2023/24
3059
Drug Repurposing Hub
DrugBank
DB00710
DrugBank Approved Drugs
DB00710
DrugCentral
1404
DrugCentral Approved Drugs
1404
DrugMAP
DM0QZBN
DrugMAP Approved Drugs
DM0QZBN
DrugMatrix
Enamine BioReference Compounds
Guide to Pharmacology
3059
LINCS compound set
10258-110
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL997
MedChem Express Bioactive Compound Library
HY-B0515
NCATS Inxight Approved Drugs
UMD7G2653W
NPC Screening Collection
Other bioactive compounds
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
ibandronate-sodium
TargetMol Bioactive Compound Library
T1599L
T6539
The Spectrum Collection
Withdrawn 2.0
EMA19
External IDs
83
Properties
(calculated by RDKit )
Molecular Weight
319.09
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
5
Rotatable Bonds
9
Ring Count
0
Aromatic Ring Count
0
cLogP
0.5
TPSA
138.53
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.31
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
Farnesyl diphosphate synthase
Pathway
Microbiology&virology
Apoptosis
Target
HAP
FPS
FDPS
MOA
HBV inhibitor
bone resorption inhibitor
Indication
osteoporosis
ATC
M05BA06
Therapeutic Class
Bone Density Conservation Agents
Source data