| Entry |
|
|---|
| Name |
Venlafaxine besylate monohydrate;
Venlafaxine besylate (TN) |
|---|
| Product |
|
|---|
| Formula |
C17H27NO2. C6H6O3S. H2O
|
|---|
| Exact mass |
453.2185
|
|---|
| Mol weight |
453.59
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01658 Serotonin and norepinephrine reuptake inhibitor (SNRI)
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00959): | D00821<JP/US> D12403<US> |
|
|---|
| Efficacy |
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI) |
|---|
| Disease |
Major depressive disorder [DS: H01646] Generalized anxiety disorder [DS: H01662] |
|---|
| Comment |
serotonin norepinephrine reuptake inhibitor (SNRI)
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]; CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AX Other antidepressants
N06AX16 Venlafaxine
D12403 Venlafaxine besylate monohydrate <US>
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01658 Serotonin and norepinephrine reuptake inhibitor (SNRI)
DG00959 Venlafaxine
D12403 Venlafaxine besylate monohydrate
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00959 Venlafaxine
D12403 Venlafaxine besylate monohydrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00959 Venlafaxine
D12403 Venlafaxine besylate monohydrate
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A2 (NAT1)
D12403 Venlafaxine besylate monohydrate <US>
SLC6A4 (HTT)
D12403 Venlafaxine besylate monohydrate <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12403
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01658 Serotonin and norepinephrine reuptake inhibitor (SNRI)
DG00959 Venlafaxine
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00959 Venlafaxine
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00959 Venlafaxine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C8x C 8.5191 -16.8517
2 C8y C 8.5191 -18.2559
3 C8x C 9.7830 -18.9581
4 C8x C 10.9766 -18.2559
5 C8y C 10.9766 -16.8517
6 C8x C 9.7830 -16.1496
7 C1x C 13.4340 -18.2559
8 C1z C 13.4340 -16.8517
9 C1c C 12.1702 -16.1496
10 C1x C 14.6276 -18.9581
11 C1x C 15.8213 -18.2559
12 C1x C 15.8213 -16.8517
13 C1x C 14.6276 -16.1496
14 O2a O 7.3255 -18.9581
15 C1a C 6.1319 -18.2559
16 C1b C 12.1702 -14.7453
17 O1a O 13.4340 -15.4474
18 N1c N 10.9766 -14.0432
19 C1a C 9.7830 -14.7453
20 C1a C 10.9766 -12.6389
21 C8x C 17.5000 -16.8700
22 C8x C 17.5000 -18.2700
23 C8x C 18.7124 -18.9700
24 C8x C 19.9249 -18.2700
25 C8x C 19.9249 -16.8700
26 C8y C 18.7124 -16.1700
27 S4a S 18.7124 -14.7702
28 O1d O 17.3124 -14.7702
29 O1d O 20.1124 -14.7702
30 O1d O 18.7124 -13.3702
31 O0 O 22.3300 -17.6400
BOND 31
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 2 14 1
16 14 15 1
17 9 16 1
18 8 17 1
19 16 18 1
20 18 19 1
21 18 20 1
22 21 22 2
23 22 23 1
24 23 24 2
25 24 25 1
26 25 26 2
27 21 26 1
28 26 27 1
29 27 28 2
30 27 29 2
31 27 30 1
|
|---|
