| Entry |
|
|---|
| Name |
Incadronate disodium hydrate (JAN);
Bisphonal (TN) |
|---|
| Formula |
C8H17NO6P2. 2Na. H2O
|
|---|
| Exact mass |
349.0432
|
|---|
| Mol weight |
349.17
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Musculo-skeletal system agent
DG03232 Osteoporosis agent
DG01600 Bisphosphonate
|
|---|
| Remark |
|
|---|
| Efficacy |
Antihypercalcemia, Antiresorptive, Osteoporosis agent, Farnesylpyrophosphate synthetase inhibitor |
|---|
| Comment |
Bisphosphonate
|
|---|
| Target |
|
|---|
| 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 |
|
|---|
| 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
|
|---|
