KEGG   DRUG: Zoledronic acidHelp
Entry
D08689                      Drug                                   

Name
Zoledronic acid (INN);
Zometa (TN);
Reclast (TN)
Formula
C5H10N2O7P2
Exact mass
271.9963
Mol weight
272.0896
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01600  Bisphosphonate
Remark
ATC code: M05BA08
Chemical structure group: DG00787
Product (DG00787): D01968<JP/US>
Efficacy
Antihypercalcemia, Antiresorptive, Farnesylpyrophosphate synthetase inhibitor
Comment
Bisphosphonate
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
     M05BA08 Zoledronic acid
      D08689  Zoledronic acid (INN)
USP drug classification [BR:br08302]
 Metabolic Bone Disease Agents
  Zoledronic acid
   D08689  Zoledronic acid (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D08689  Zoledronic acid (INN)
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D08689
BRITE hierarchy
Other DBs
CAS: 118072-93-8
PubChem: 96025372
ChEBI: 46557
ChEMBL: CHEMBL924
DrugBank: DB00399
PDB-CCD: ZOL[PDBj]
LigandBox: D08689
NIKKAJI: J556.181G
LinkDB All DBs
KCF data Show

ATOM        16
            1   C1d C    22.9600  -23.8700
            2   P1b P    24.1500  -24.5000
            3   P1b P    21.7700  -24.5000
            4   C1b C    22.9600  -22.5400
            5   O1c O    20.5800  -23.8700
            6   O1c O    21.7700  -25.9000
            7   O1c O    20.2300  -25.4800
            8   O1c O    25.2700  -23.8700
            9   O1c O    24.1500  -25.9000
            10  O1c O    25.2700  -25.2000
            11  O1a O    22.9600  -25.2700
            12  N4y N    24.1724  -21.8400
            13  C8x C    25.4972  -22.2207
            14  N5x N    26.2717  -21.0791
            15  C8x C    25.4253  -19.9898
            16  C8x C    24.1278  -20.4582
BOND        16
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     3   5 2
            5     3   6 1
            6     3   7 1
            7     2   8 2
            8     2   9 1
            9     2  10 1
            10    1  11 1
            11    4  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 2
            16   12  16 1

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