| Entry |
|
|---|
| Name |
Diphenadione (INN) |
|---|
| Formula |
C23H16O3
|
|---|
| Exact mass |
340.1099
|
|---|
| Mol weight |
340.3713
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Blood modifier agent
DG01950 Antithrombotic agent
DG01708 Coumarin anticoagulant
DG01761 Phenindion type coumarin derivative
|
|---|
| Remark |
|
|---|
| Efficacy |
Anticoagulant, Vitamin K antagonist |
|---|
| Comment |
Phenindione (indandione) derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa00130 | Ubiquinone and other terpenoid-quinone biosynthesis |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
B BLOOD AND BLOOD FORMING ORGANS
B01 ANTITHROMBOTIC AGENTS
B01A ANTITHROMBOTIC AGENTS
B01AA Vitamin K antagonists
B01AA10 Diphenadione
D07136 Diphenadione (INN)
Drug groups [BR:br08330]
Blood modifier agent
DG01950 Antithrombotic agent
DG01708 Coumarin anticoagulant
DG01761 Phenindion type coumarin derivative
D07136 Diphenadione
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Vitamin-K-epoxide reductase
VKORC1
D07136 Diphenadione (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 26
1 C8x C 19.2500 -6.8600
2 C8x C 19.2500 -8.2600
3 C8x C 20.4624 -8.9600
4 C8y C 21.6749 -8.2600
5 C8y C 21.6749 -6.8600
6 C8x C 20.4624 -6.1600
7 C5x C 23.0064 -8.6926
8 C1y C 23.8293 -7.5600
9 C5x C 23.0064 -6.4274
10 O5x O 23.4375 -10.0194
11 O5x O 23.4375 -5.1006
12 C5a C 25.2000 -7.5600
13 C1c C 25.9000 -8.7724
14 O5a O 25.9000 -6.3476
15 C8y C 27.2998 -8.7724
16 C8x C 27.9903 -9.9680
17 C8x C 29.3903 -9.9678
18 C8x C 30.0901 -8.7553
19 C8x C 29.3997 -7.5598
20 C8x C 27.9997 -7.5599
21 C8y C 25.4560 -10.0777
22 C8x C 24.2613 -10.7690
23 C8x C 24.2555 -12.1690
24 C8x C 25.4651 -12.8740
25 C8x C 26.6603 -12.1905
26 C8x C 26.6661 -10.7905
BOND 29
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 7 10 2
12 9 11 2
13 8 12 1
14 12 13 1
15 12 14 2
16 13 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 19 20 2
22 15 20 1
23 13 21 1
24 21 22 2
25 22 23 1
26 23 24 2
27 24 25 1
28 25 26 2
29 21 26 1
|
|---|
