| Entry |
|
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| Name |
Escitalopram (INN);
Esertia (TN) |
|---|
| Formula |
C20H21FN2O
|
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| Exact mass |
324.1638
|
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| Mol weight |
324.3919
|
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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
DG01639 CYP2C19 substrate
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02953 AOX1 substrate
DG02917 MAO substrate
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
|
|---|
| Remark |
| Product (DG00947): | D02567<JP/US> |
|
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| Efficacy |
Antidepressant, Selective serotonin reuptake inhibitor (SSRI) |
|---|
| Comment |
Citalopram derivative
|
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| Target |
|
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| Pathway |
|
|---|
| Metabolism |
|
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| Interaction |
CYP inhibition: CYP2D6 [HSA: 1565]
|
|---|
| 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
N06AB10 Escitalopram
D07913 Escitalopram (INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01659 Selective serotonin reuptake inhibitor (SSRI)
DG00947 Escitalopram
D07913 Escitalopram
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00947 Escitalopram
D07913 Escitalopram
DG01644 CYP2D6 substrate
DG00947 Escitalopram
D07913 Escitalopram
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00947 Escitalopram
D07913 Escitalopram
DG02953 AOX1 substrate
DG00947 Escitalopram
D07913 Escitalopram
DG02917 MAO substrate
DG00947 Escitalopram
D07913 Escitalopram
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG00947 Escitalopram
D07913 Escitalopram
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A4 (HTT)
D07913 Escitalopram (INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07913
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01659 Selective serotonin reuptake inhibitor (SSRI)
DG00947 Escitalopram
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG00947 Escitalopram
DG01644 CYP2D6 substrate
DG00947 Escitalopram
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00947 Escitalopram
DG02953 AOX1 substrate
DG00947 Escitalopram
DG02917 MAO substrate
DG00947 Escitalopram
Metabolizing enzyme inhibitor
DG01645 CYP2D6 inhibitor
DG00947 Escitalopram
|
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| Other DBs |
|
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| KCF data |
ATOM 24
1 C8x C 20.6500 -16.3100
2 C8y C 20.6500 -14.9100
3 C8x C 21.8400 -14.2100
4 C8y C 23.1000 -14.9100
5 C8y C 23.1000 -16.3100
6 C8x C 21.8400 -17.0100
7 C1x C 24.4300 -14.4900
8 O2x O 25.2000 -15.6100
9 C1z C 24.4300 -16.7300
10 C8y C 24.4300 -18.1300
11 C8x C 25.6200 -18.8300
12 C8x C 25.6200 -20.2300
13 C8y C 24.5000 -20.9300
14 C8x C 23.2400 -20.2300
15 C8x C 23.2400 -18.8300
16 X F 24.5000 -22.4000
17 C3b C 19.4600 -14.2100
18 N3a N 18.2700 -13.5100
19 C1b C 25.8300 -16.7300
20 C1b C 26.5300 -17.9900
21 C1b C 28.0000 -17.9200
22 N1c N 28.7000 -19.1100
23 C1a C 30.1000 -19.1100
24 C1a C 28.0000 -20.3700
BOND 26
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 9 10 1 #Up
12 10 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 10 15 1
18 13 16 1
19 2 17 1
20 17 18 3
21 9 19 1 #Down
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 1
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