| Entry |
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| Name |
Sertraline (INN) |
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| Formula |
C17H17Cl2N
|
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| Exact mass |
305.0738
|
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| Mol weight |
306.2296
|
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| Structure |
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| Simcomp |
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| Class |
Neuropsychiatric agent
DG01659 Selective serotonin reuptake inhibitor (SSRI)
Metabolizing enzyme substrate
DG02919 CYP2B6 substrate
DG01642 CYP2C9 substrate
DG01639 CYP2C19 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
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| Remark |
| Product (DG00945): | D00825<JP/US> |
|
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| Efficacy |
Antidepressant, Selective serotonin reuptake inhibitor (SSRI) |
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| Target |
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| Pathway |
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| Metabolism |
Enzyme: CYP2C19 [HSA: 1557], CYP2C9 [HSA: 1559], CYP2B6 [HSA: 1555], CYP3A4 [HSA: 1576]
|
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| Interaction |
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| Structure map |
| map07234 | Neurotransmitter transporter inhibitors |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AB Selective serotonin reuptake inhibitors
N06AB06 Sertraline
D02360 Sertraline (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01659 Selective serotonin reuptake inhibitor (SSRI)
DG00945 Sertraline
D02360 Sertraline
Metabolizing enzyme substrate
DG02919 CYP2B6 substrate
DG00945 Sertraline
D02360 Sertraline
DG01642 CYP2C9 substrate
DG00945 Sertraline
D02360 Sertraline
DG01639 CYP2C19 substrate
DG00945 Sertraline
D02360 Sertraline
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00945 Sertraline
D02360 Sertraline
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A4 (HTT)
D02360 Sertraline (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D02360
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01659 Selective serotonin reuptake inhibitor (SSRI)
DG00945 Sertraline
Metabolizing enzyme substrate
DG02919 CYP2B6 substrate
DG00945 Sertraline
DG01642 CYP2C9 substrate
DG00945 Sertraline
DG01639 CYP2C19 substrate
DG00945 Sertraline
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00945 Sertraline
|
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| Other DBs |
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| KCF data |
ATOM 20
1 C8y C 21.8802 -16.0857
2 C1y C 23.0855 -16.7936
3 C8y C 21.8861 -14.6932
4 C8x C 20.6808 -16.7878
5 C8y C 23.0796 -18.1920
6 C1x C 24.3083 -16.0974
7 C1y C 23.0972 -13.9969
8 C8x C 20.6808 -13.9912
9 C8x C 19.4640 -16.0857
10 C8x C 21.8744 -18.8823
11 C8x C 24.3023 -18.8939
12 C1x C 24.3140 -14.6990
13 N1b N 23.1030 -12.5930
14 C8x C 19.4640 -14.6932
15 C8y C 21.8685 -20.2863
16 C8x C 24.2966 -20.2980
17 C1a C 24.3257 -11.8967
18 C8y C 23.0738 -20.9884
19 X Cl 20.6517 -20.9826
20 X Cl 23.0678 -22.3868
BOND 22
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1 #Up
5 2 6 1
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 2
10 5 11 1
11 6 12 1
12 7 13 1 #Up
13 8 14 1
14 10 15 1
15 11 16 2
16 13 17 1
17 15 18 2
18 15 19 1
19 18 20 1
20 7 12 1
21 9 14 2
22 16 18 1
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