| Entry |
|
|---|
| Name |
Doxepin (INN);
Sinequan (TN) |
|---|
| Formula |
C19H21NO
|
|---|
| Exact mass |
279.1623
|
|---|
| Mol weight |
279.3761
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01730 Non-selective monoamine reuptake inhibitor
DG01728 Tricyclic antidepressant
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01642 CYP2C9 substrate
DG01639 CYP2C19 substrate
DG01644 CYP2D6 substrate
|
|---|
| Remark |
| Product (DG00937): | D00814<US> |
|
|---|
| Efficacy |
Antidepressant, H1 receptor antagonist, Serotonin-noradrenaline reuptake inhibitor (SNRI) |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04750 | Inflammatory mediator regulation of TRP channels |
|
|---|
| Metabolism |
Enzyme: CYP2C19 [HSA: 1557], CYP2D6 [HSA: 1565]; CYP1A2 [HSA: 1544], CYP2C9 [HSA: 1559]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
D04AX Other antipruritics
D04AX01 Doxepin
D07875 Doxepin (INN)
N NERVOUS SYSTEM
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AA Non-selective monoamine reuptake inhibitors
N06AA12 Doxepin
D07875 Doxepin (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01730 Non-selective monoamine reuptake inhibitor
DG00937 Doxepin
D07875 Doxepin
DG01728 Tricyclic antidepressant
DG00937 Doxepin
D07875 Doxepin
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00937 Doxepin
D07875 Doxepin
DG01642 CYP2C9 substrate
DG00937 Doxepin
D07875 Doxepin
DG01639 CYP2C19 substrate
DG00937 Doxepin
D07875 Doxepin
DG01644 CYP2D6 substrate
DG00937 Doxepin
D07875 Doxepin
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D07875 Doxepin (INN)
Transporters
Solute carrier family
SLC6
SLC6A2 (NAT1)
D07875 Doxepin (INN)
SLC6A4 (HTT)
D07875 Doxepin (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07875
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01730 Non-selective monoamine reuptake inhibitor
DG00937 Doxepin
DG01728 Tricyclic antidepressant
DG00937 Doxepin
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG00937 Doxepin
DG01642 CYP2C9 substrate
DG00937 Doxepin
DG01639 CYP2C19 substrate
DG00937 Doxepin
DG01644 CYP2D6 substrate
DG00937 Doxepin
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 21
1 C1x C 17.0100 -21.7700
2 C8y C 16.1700 -20.6500
3 C8y C 16.5200 -19.3200
4 C2y C 17.7800 -18.7600
5 O2x O 18.4100 -21.7700
6 C8y C 19.0400 -19.3900
7 C8y C 19.3200 -20.7200
8 C8x C 15.5400 -18.3400
9 C8x C 14.1400 -18.7600
10 C8x C 13.8600 -20.0900
11 C8x C 14.8400 -21.0700
12 C8x C 20.6500 -21.1400
13 C8x C 21.7000 -20.2300
14 C8x C 21.4200 -18.9000
15 C8x C 20.0900 -18.4100
16 C2b C 17.7800 -17.2900
17 C1b C 16.5676 -16.5900
18 C1b C 15.3721 -17.2804
19 N1c N 14.1847 -16.5949
20 C1a C 12.9935 -17.2829
21 C1a C 14.1845 -15.1902
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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