KEGG   DRUG: Alendronic acid
Entry
D07119                      Drug                                   

Name
Alendronic acid (INN)
Formula
C4H13NO7P2
Exact mass
249.0167
Mol weight
249.096
Structure
Simcomp
Class
Other
 DG01600  Bisphosphonate
Remark
Same as: C07752
ATC code: M05BA04
Chemical structure group: DG00783
Product (DG00783): D00939<JP/US>
Product (mixture): D10841<US>
Efficacy
Antiresorptive, Farnesylpyrophosphate synthetase inhibitor
Comment
Bishposphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
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)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D07119  Alendronic acid (INN)
Other DBs
CAS: 66376-36-1
PubChem: 51091458
ChEBI: 2567
ChEMBL: CHEMBL870
PDB-CCD: 212[PDBj] AHD[PDBj]
LigandBox: D07119
NIKKAJI: J363.022F
LinkDB
KCF data

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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