| Entry |
|
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| Name |
Citalopram (USP/INN);
Citadur (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
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inhibitor
DG01933 CYP2C19 inhibitor
Transporter substrate
DG01665 ABCB1 substrate
|
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| Remark |
| Product (DG00943): | D00822<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 |
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2D6 [HSA: 1565]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
CYP inhibition: CYP2C19 [HSA: 1557]
|
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| Structure map |
| map07234 | Neurotransmitter transporter inhibitors |
|
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| Other map |
| map00982 | Drug metabolism - cytochrome P450 |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AB Selective serotonin reuptake inhibitors
N06AB04 Citalopram
D07704 Citalopram (USP/INN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01659 Selective serotonin reuptake inhibitor (SSRI)
DG00943 Citalopram
D07704 Citalopram
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00943 Citalopram
D07704 Citalopram
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00943 Citalopram
D07704 Citalopram
Metabolizing enzyme inhibitor
DG01933 CYP2C19 inhibitor
DG00943 Citalopram
D07704 Citalopram
Transporter substrate
DG01665 ABCB1 substrate
DG00943 Citalopram
D07704 Citalopram
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A4 (HTT)
D07704 Citalopram (USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07704
Drug transporters
D07704
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01659 Selective serotonin reuptake inhibitor (SSRI)
DG00943 Citalopram
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00943 Citalopram
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00943 Citalopram
Metabolizing enzyme inhibitor
DG01933 CYP2C19 inhibitor
DG00943 Citalopram
Transporter substrate
DG01665 ABCB1 substrate
DG00943 Citalopram
|
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| Other DBs |
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| KCF data |
ATOM 24
1 C1z C 24.5000 -16.8000
2 C8y C 23.1700 -16.3800
3 O2x O 25.3400 -15.6800
4 C8y C 23.1700 -14.9100
5 C8x C 21.9800 -17.0800
6 C1x C 24.5000 -14.4900
7 C8x C 21.9800 -14.2100
8 C8x C 20.7200 -16.3800
9 C8y C 20.7200 -14.9100
10 C3b C 19.5300 -14.2100
11 N3a N 18.2700 -13.5100
12 C8y C 24.5000 -18.2000
13 C8x C 23.3100 -18.9000
14 C8x C 23.3100 -20.3000
15 C8y C 24.5000 -21.0000
16 C8x C 25.6900 -20.3000
17 C8x C 25.6900 -18.9000
18 X F 24.5000 -22.4000
19 C1b C 25.9000 -16.8000
20 C1b C 26.6000 -17.9900
21 C1b C 28.0000 -17.9900
22 N1c N 28.7000 -19.1800
23 C1a C 30.1000 -19.1800
24 C1a C 28.0000 -20.3700
BOND 26
1 1 2 1
2 1 3 1
3 2 4 2
4 2 5 1
5 3 6 1
6 4 7 1
7 5 8 2
8 7 9 2
9 9 10 1
10 4 6 1
11 8 9 1
12 10 11 3
13 1 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 15 18 1
21 1 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 1
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