KEGG   DRUG: Alendronic acidHelp
Entry
D07119                      Drug                                   

Name
Alendronic acid (INN)
Formula
C4H13NO7P2
Exact mass
249.0167
Mol weight
249.096
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01600  Bisphosphonate
Remark
Same as: C07752
ATC code: M05BA04
Chemical structure group: DG00783
Product (DG00783): D00939<JP/US>
Efficacy
Antiresorptive, Farnesylpyrophosphate synthetase inhibitor
Comment
Bishposphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Interaction
Drug interaction
Structure map
map07047  Osteoporosis drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 M MUSCULO-SKELETAL SYSTEM
  M05 DRUGS FOR TREATMENT OF BONE DISEASES
   M05B DRUGS AFFECTING BONE STRUCTURE AND MINERALIZATION
    M05BA Bisphosphonates
     M05BA04 Alendronic acid
      D07119  Alendronic acid (INN)
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Alendronate
   D07119  Alendronic acid (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D07119  Alendronic acid (INN)
BRITE hierarchy
Other DBs
CAS: 66376-36-1
PubChem: 51091458
ChEBI: 2567
ChEMBL: CHEMBL870
PDB-CCD: 212[PDBj] AHD[PDBj]
LigandBox: D07119
NIKKAJI: J363.022F
LinkDB All DBs
KCF data Show

ATOM        14
            1   P1b P    20.5100  -20.4400
            2   C1d C    21.9100  -20.4400
            3   C1b C    21.9100  -18.5500
            4   O1a O    21.9100  -21.8400
            5   P1b P    23.3100  -20.4400
            6   O1c O    24.7100  -20.4400
            7   O1c O    19.1100  -20.4400
            8   O1c O    20.5100  -19.0400
            9   O1c O    23.3100  -19.0400
            10  C1b C    23.1224  -17.8500
            11  C1b C    23.1225  -16.4502
            12  N1a N    24.3181  -15.7598
            13  O1c O    20.5100  -21.8400
            14  O1c O    23.3100  -21.8400
BOND        13
            1     1   2 1
            2     2   3 1
            3     2   4 1
            4     2   5 1
            5     5   6 1
            6     1   7 1
            7     1   8 2
            8     5   9 2
            9     3  10 1
            10   10  11 1
            11   11  12 1
            12    1  13 1
            13    5  14 1

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