| Entry |
|
|---|
| Name |
Amitriptyline (INN);
Laroxyl (TN) |
|---|
| Formula |
C20H23N
|
|---|
| Exact mass |
277.1831
|
|---|
| Mol weight |
277.4033
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01730 Non-selective monoamine reuptake inhibitor
DG01728 Tricyclic antidepressant
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01639 CYP2C19 substrate
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00934): | D00809<JP/US> |
|
|---|
| Efficacy |
Antidepressant |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]; CYP1A2 [HSA: 1544], CYP3A4 [HSA: 1576], CYP2C19 [HSA: 1557]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07234 | Neurotransmitter transporter inhibitors |
|
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| Other map |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AA Non-selective monoamine reuptake inhibitors
N06AA09 Amitriptyline
D07448 Amitriptyline (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01730 Non-selective monoamine reuptake inhibitor
DG00934 Amitriptyline
D07448 Amitriptyline
DG01728 Tricyclic antidepressant
DG00934 Amitriptyline
D07448 Amitriptyline
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00934 Amitriptyline
D07448 Amitriptyline
DG01639 CYP2C19 substrate
DG00934 Amitriptyline
D07448 Amitriptyline
DG01644 CYP2D6 substrate
DG00934 Amitriptyline
D07448 Amitriptyline
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00934 Amitriptyline
D07448 Amitriptyline
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A2 (NAT1)
D07448 Amitriptyline (INN)
SLC6A4 (HTT)
D07448 Amitriptyline (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07448
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01730 Non-selective monoamine reuptake inhibitor
DG00934 Amitriptyline
DG01728 Tricyclic antidepressant
DG00934 Amitriptyline
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00934 Amitriptyline
DG01639 CYP2C19 substrate
DG00934 Amitriptyline
DG01644 CYP2D6 substrate
DG00934 Amitriptyline
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00934 Amitriptyline
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 21
1 C1x C 21.9800 -21.2100
2 C8y C 21.1400 -20.0900
3 C8y C 21.4200 -18.6900
4 C2y C 22.6800 -18.1300
5 C1x C 23.3800 -21.2100
6 C8y C 23.9400 -18.7600
7 C8y C 24.2900 -20.1600
8 C8x C 20.4400 -17.7100
9 C8x C 19.1100 -18.1300
10 C8x C 18.7600 -19.4600
11 C8x C 19.7400 -20.4400
12 C8x C 25.6200 -20.5800
13 C8x C 26.6700 -19.6000
14 C8x C 26.3200 -18.2700
15 C8x C 24.9900 -17.8500
16 C2b C 22.6800 -16.7300
17 C1b C 23.8700 -16.1000
18 C1b C 25.0600 -16.8000
19 N1c N 26.3200 -16.1000
20 C1a C 27.5100 -16.8000
21 C1a C 26.3200 -14.7000
BOND 23
1 3 4 1
2 1 5 1
3 4 6 1
4 2 3 1
5 5 7 1
6 1 2 1
7 6 7 1
8 3 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 2 11 2
13 7 12 2
14 12 13 1
15 13 14 2
16 14 15 1
17 6 15 2
18 4 16 2
19 16 17 1
20 17 18 1
21 18 19 1
22 19 20 1
23 19 21 1
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