KEGG   DRUG: Napitane mesylate
Entry
D05120                      Drug                                   
Name
Napitane mesylate (USAN)
Formula
C22H25NO2. CH4SO3
Exact mass
431.1766
Mol weight
431.55
Structure
Class
Neuropsychiatric agent
 DG03085  Selective norepinephrine reuptake inhibitor (NRI)
Efficacy
Antidepressant
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04721  Synaptic vesicle cycle
Interaction
Brite
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG03085  Selective norepinephrine reuptake inhibitor (NRI)
   D05120  Napitane mesylate
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D05120  Napitane mesylate (USAN)
Other DBs
CAS: 149189-73-1
PubChem: 47206845
LigandBox: D05120
LinkDB
KCF data

ATOM        30
            1   C8y C    34.1480  -23.6976
            2   C8x C    34.1480  -25.0998
            3   C8x C    35.3399  -25.8009
            4   C8y C    36.5318  -25.0998
            5   C8y C    36.5318  -23.6976
            6   C8y C    35.3399  -22.9965
            7   C1y C    37.7938  -25.8009
            8   C1x C    38.9857  -25.0998
            9   C1x C    38.9857  -23.6976
            10  C1x C    37.7938  -22.9965
            11  O2x O    35.0595  -21.6644
            12  C1x C    33.6572  -21.5242
            13  O2x O    33.0963  -22.7862
            14  C1b C    37.7938  -27.2031
            15  N1y N    38.9857  -27.9043
            16  C1x C    38.9857  -29.3065
            17  C1x C    40.3178  -29.7973
            18  C1y C    41.1591  -28.6054
            19  C1x C    40.3178  -27.4836
            20  C8y C    42.4912  -28.6054
            21  C8x C    43.1923  -29.8674
            22  C8x C    44.5945  -29.8674
            23  C8x C    45.2956  -28.6054
            24  C8x C    44.6647  -27.4135
            25  C8x C    43.2624  -27.4135
            26  O1d O    48.8012  -24.8895
            27  S4a S    48.8012  -26.2917
            28  C1a C    47.3990  -26.2917
            29  O1d O    50.2034  -26.2917
            30  O1d O    48.8012  -27.6939
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    6  11 1
            13   11  12 1
            14   12  13 1
            15    1  13 1
            16    7  14 1 #Up
            17   14  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   15  19 1
            23   18  20 1 #Up
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   23  24 1
            28   24  25 2
            29   20  25 1
            30   26  27 2
            31   27  28 1
            32   27  29 1
            33   27  30 2

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