| Entry |
|
|---|
| Name |
Citalopram hydrochloride;
Seropram (TN) |
|---|
| Formula |
C20H21FN2O. HCl
|
|---|
| Exact mass |
360.1405
|
|---|
| Mol weight |
360.8529
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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
|
|---|
| Remark |
| Product (DG00943): | D00822<US> |
|
|---|
| Efficacy |
Antidepressant, Selective serotonin reuptake inhibitor (SSRI) |
|---|
| Comment |
Citalopram derivative
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2D6 [HSA: 1565]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
CYP inhibition: CYP2C19 [HSA: 1557]
|
|---|
| Structure map |
| map07234 | Neurotransmitter transporter inhibitors |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N06 PSYCHOANALEPTICS
N06A ANTIDEPRESSANTS
N06AB Selective serotonin reuptake inhibitors
N06AB04 Citalopram
D07705 Citalopram hydrochloride
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01659 Selective serotonin reuptake inhibitor (SSRI)
DG00943 Citalopram
D07705 Citalopram hydrochloride
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00943 Citalopram
D07705 Citalopram hydrochloride
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00943 Citalopram
D07705 Citalopram hydrochloride
Metabolizing enzyme inhibitor
DG01933 CYP2C19 inhibitor
DG00943 Citalopram
D07705 Citalopram hydrochloride
Transporter substrate
DG01665 ABCB1 substrate
DG00943 Citalopram
D07705 Citalopram hydrochloride
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC6
SLC6A4 (HTT)
D07705 Citalopram hydrochloride
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07705
Drug transporters
D07705
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
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
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
25 X Cl 32.5500 -16.5900
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
|
|---|
