KEGG   DRUG: Incadronate disodium hydrate
Entry
D07123                      Drug                                   
Name
Incadronate disodium hydrate (JAN);
Bisphonal (TN)
Formula
C8H17NO6P2. 2Na. H2O
Exact mass
349.0432
Mol weight
349.166
Structure
Simcomp
Class
Musculo-skeletal system agent
 DG03232  Osteoporosis agent
  DG01600  Bisphosphonate
Remark
Chemical structure group: DG01266
Efficacy
Antihypercalcemia, Antiresorptive, Osteoporosis agent, Farnesylpyrophosphate synthetase inhibitor
Comment
Bisphosphonate
Target
FDPS [HSA:2224] [KO:K00787]
  Pathway
hsa00900  Terpenoid backbone biosynthesis
Interaction
Brite
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG01266  Incadronic acid
     D07123  Incadronate disodium hydrate
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Alkyl/Aryl transferases
    FDPS
     D07123  Incadronate disodium hydrate (JAN)
Drug groups [BR:br08330]
 Musculo-skeletal system agent
  DG03232  Osteoporosis agent
   DG01600  Bisphosphonate
    DG01266  Incadronic acid
Other DBs
PubChem: 51091462
LigandBox: D07123
LinkDB
KCF data

ATOM        20
            1   O0  O    33.4632  -21.8189
            2   C1x C    22.7500  -16.7300
            3   C1x C    23.8700  -15.8200
            4   C1x C    25.2000  -16.1700
            5   C1y C    25.8300  -17.4300
            6   C1x C    22.7500  -18.1300
            7   C1x C    25.2000  -18.6900
            8   C1x C    23.8700  -18.9700
            9   N1b N    27.2300  -17.4300
            10  C1c C    27.9300  -18.6200
            11  P1b P    29.3300  -18.6200
            12  P1b P    27.2300  -19.8100
            13  O1c O    26.5300  -21.0700 #-
            14  O1c O    26.0400  -19.1100
            15  O1c O    28.4900  -20.5100
            16  O1c O    30.7300  -18.6200
            17  O1c O    29.3300  -17.2200 #-
            18  O1c O    29.3300  -20.0200
            19  Z   Na   31.1500  -17.0100 #+
            20  Z   Na   26.0987  -22.9491 #+
BOND        17
            1     4   5 1
            2     2   6 1
            3     5   7 1
            4     3   4 1
            5     6   8 1
            6     2   3 1
            7     7   8 1
            8     5   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 1
            12   12  13 1
            13   12  14 2
            14   12  15 1
            15   11  16 1
            16   11  17 1
            17   11  18 2

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