| Entry |
|
|---|
| Name |
Diazoxide choline (USAN);
Vykat xr (TN) |
|---|
| Product |
|
|---|
| Formula |
C8H6ClN2O2S. C5H14NO
|
|---|
| Exact mass |
333.0914
|
|---|
| Mol weight |
333.84
|
|---|
| Structure |
|
|---|
| Class |
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
|
|---|
| Remark |
| Product (DG03325): | D00294<JP/US> D12987<US> |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Disease |
Prader-Willi syndrome [DS: H00478] |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP1A2 [HSA: 1544]
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG03325 Diazoxide
D12987 Diazoxide choline
Target-based classification of drugs [BR:br08310]
Transporters
ABC transporters
ABCC subfamily
ABCC8(SUR1)/KCNJ11(KIR6.2)
D12987 Diazoxide choline (USAN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12987
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG03325 Diazoxide
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C8y C 18.5314 -15.7342
2 C8y C 18.5314 -17.1328
3 C8x C 19.7202 -17.8321
4 C8x C 20.9090 -17.1328
5 C8y C 20.9090 -15.7342
6 C8x C 19.7202 -15.0349
7 S2x S 17.2726 -15.0349
8 N4x N 16.0838 -15.7342 #-
9 C8y C 16.0838 -17.1328
10 N5x N 17.2726 -17.8321
11 X Cl 22.1677 -15.0349
12 C1a C 14.8251 -17.8321
13 O3c O 18.2517 -14.0559
14 O3c O 16.2936 -14.0559
15 C1a C 24.2595 -16.6223
16 N1d N 25.4519 -15.9209 #+
17 C1b C 26.6442 -16.6223
18 C1b C 27.9068 -15.9209
19 O1a O 29.0991 -16.6223
20 C1a C 25.4519 -14.5181
21 C1a C 25.4519 -17.3237
BOND 21
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 1 7 1
8 7 8 1
9 8 9 1
10 9 10 2
11 2 10 1
12 5 11 1
13 9 12 1
14 7 13 2
15 7 14 2
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 16 20 1
21 16 21 1
|
|---|
