| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C19H21NO
|
|---|
| Exact mass |
279.1623
|
|---|
| Mol weight |
279.38
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| 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
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 21
1 C1x C 20.7200 -20.0200
2 C8y C 19.8800 -18.9000
3 C8y C 20.2300 -17.5700
4 C2y C 21.4900 -17.0100
5 O2x O 22.1200 -20.0200
6 C8y C 22.7500 -17.6400
7 C8y C 23.0300 -18.9700
8 C8x C 19.2500 -16.5900
9 C8x C 17.8500 -17.0100
10 C8x C 17.5700 -18.3400
11 C8x C 18.5500 -19.3200
12 C8x C 24.3600 -19.3900
13 C8x C 25.4100 -18.4800
14 C8x C 25.1300 -17.1500
15 C8x C 23.8000 -16.6600
16 C2b C 21.4900 -15.5400
17 C1b C 20.2300 -14.8400
18 C1b C 19.0400 -15.5400
19 N1c N 17.8500 -14.8400
20 C1a C 16.6600 -15.5400
21 C1a C 17.8500 -13.4400
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
|
|---|
|
