KEGG   DRUG: CitalopramHelp
Entry
D07704                      Drug                                   

Name
Citalopram (USP/INN);
Citadur (TN)
Formula
C20H21FN2O
Exact mass
324.1638
Mol weight
324.3919
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01659  Selective serotonin reuptake inhibitor
Enzyme substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A substrate
Enzyme inhibitor
 DG01933  CYP2C19 inhibitor
Transporter substrate
 DG01665  ABCB1(P-GP) substrate
Remark
Same as: C07572
ATC code: N06AB04
Chemical structure group: DG00943
Product (DG00943): D00822<US>
Efficacy
Antidepressant, Selective serotonin reuptake inhibitor (SSRI)
Comment
Citalopram derivative
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
  Pathway
hsa04726  Serotonergic synapse
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Transporter: ABCB1 [HSA:5243]
Interaction
CYP inhibition: CYP2C19 [HSA:1557]
Drug interaction
Structure map
map07027  Antidepressants
map07234  Neurotransmitter transporter inhibitors
Other map
map00982  Drug metabolism - cytochrome P450
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)
USP drug classification [BR:br08302]
 Antidepressants
  SSRIs/SNRIs (Selective Serotonin Reuptake Inhibitors/Serotonin and Norepinephrine Reuptake Inhibitors)
   Citalopram
    D07704  Citalopram (USP/INN)
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A4 (HTT)
     D07704  Citalopram (USP/INN)
BRITE hierarchy
Other DBs
CAS: 59729-33-8
PubChem: 51092001
ChEBI: 3723 77397
ChEMBL: CHEMBL549
DrugBank: DB01175
LigandBox: D07704
NIKKAJI: J18.081E
LinkDB All DBs
KCF data Show

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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