| Entry |
|
|---|
| Name |
Duloxetine (INN);
Yentreve (TN) |
|---|
| Formula |
C18H19NOS
|
|---|
| Exact mass |
297.1187
|
|---|
| Mol weight |
297.4146
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01658 Serotonin and norepinephrine reuptake inhibitor (SNRI)
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01644 CYP2D6 substrate
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
|
|---|
| Remark |
| Product (DG00962): | D01179<JP/US> |
|
|---|
| Efficacy |
Antidepressant, Serotonin-noradrenaline reuptake inhibitor (SNRI) |
|---|
| Comment |
Fluoxetine derivative
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP1A2 [HSA: 1544]; CYP2D6 [HSA: 1565]
|
|---|
| Interaction |
CYP inhibition: CYP2D6 [HSA: 1565]
|
|---|
| Structure map |
| map07234 | Neurotransmitter transporter inhibitors |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AX Other antidepressants
N06AX21 Duloxetine
D07880 Duloxetine (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01658 Serotonin and norepinephrine reuptake inhibitor (SNRI)
DG00962 Duloxetine
D07880 Duloxetine
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00962 Duloxetine
D07880 Duloxetine
DG01644 CYP2D6 substrate
DG00962 Duloxetine
D07880 Duloxetine
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG00962 Duloxetine
D07880 Duloxetine
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A2 (NAT1)
D07880 Duloxetine (INN)
SLC6A4 (HTT)
D07880 Duloxetine (INN)
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D07880
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07880
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01658 Serotonin and norepinephrine reuptake inhibitor (SNRI)
DG00962 Duloxetine
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00962 Duloxetine
DG01644 CYP2D6 substrate
DG00962 Duloxetine
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG00962 Duloxetine
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 S2x S 21.2100 -19.9500
2 C8x C 20.0200 -20.7900
3 C8x C 20.4400 -22.1200
4 C8x C 21.9100 -22.1200
5 C8y C 22.3300 -20.7900
6 C1c C 23.5200 -20.0900
7 C1b C 24.7100 -20.7900
8 C1b C 25.9700 -20.0900
9 N1b N 27.1600 -20.7900
10 C1a C 28.3500 -20.0900
11 O2a O 23.5200 -18.6900
12 C8y C 24.7100 -17.9900
13 C8x C 25.9700 -18.6900
14 C8x C 27.1600 -17.9900
15 C8x C 27.1600 -16.5900
16 C8y C 24.7100 -16.5900
17 C8y C 25.9000 -15.8900
18 C8x C 25.9000 -14.4900
19 C8x C 24.7100 -13.7900
20 C8x C 23.5200 -14.4900
21 C8x C 23.5200 -15.8900
BOND 23
1 4 5 2
2 6 11 1 #Up
3 5 1 1
4 11 12 1
5 2 3 2
6 5 6 1
7 12 13 2
8 13 14 1
9 14 15 2
10 15 17 1
11 16 12 1
12 6 7 1
13 7 8 1
14 1 2 1
15 8 9 1
16 3 4 1
17 16 17 2
18 17 18 1
19 18 19 2
20 19 20 1
21 20 21 2
22 21 16 1
23 9 10 1
|
|---|
