KEGG   DRUG: AmitriptylinoxideHelp
Entry
D07449                      Drug                                   

Name
Amitriptylinoxide (INN)
Formula
C20H23NO
Exact mass
293.178
Mol weight
293.4027
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antidepressant
Comment
Tricyclic antidepressants
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
  Pathway
hsa04726  Serotonergic synapse
Structure map
map07234  Neurotransmitter transporter inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D07449  Amitriptylinoxide (INN)
    SLC6A4 (HTT)
     D07449  Amitriptylinoxide (INN)
BRITE hierarchy
Other DBs
CAS: 4317-14-0
PubChem: 51091780
ChEMBL: CHEMBL627
LigandBox: D07449
NIKKAJI: J9.621K
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1x C    25.7656  -21.5652
            2   C8y C    24.9254  -20.4449
            3   C8y C    25.2055  -19.0446
            4   C2y C    26.4658  -18.4844
            5   C1x C    27.1660  -21.5652
            6   C8y C    27.7261  -19.1146
            7   C8y C    28.0762  -20.5149
            8   C8x C    24.2253  -18.0643
            9   C8x C    22.8949  -18.4844
            10  C8x C    22.5449  -19.8148
            11  C8x C    23.5251  -20.7950
            12  C8x C    29.4065  -20.9350
            13  C8x C    30.4568  -19.9548
            14  C8x C    30.1067  -18.6245
            15  C8x C    28.7764  -18.2044
            16  C2b C    26.4658  -17.0841
            17  C1b C    27.6561  -16.4539
            18  C1b C    28.8464  -17.1541
            19  N1d N    30.1067  -16.4539 #+
            20  O3a O    31.6694  -15.5438 #-
            21  C1a C    30.8069  -17.6666
            22  C1a C    29.4165  -15.2354
BOND        24
            1     3   4 1
            2     1   5 1
            3     4   6 1
            4     2   3 1
            5     5   7 1
            6     1   2 1
            7     6   7 1
            8     3   8 2
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12    2  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17    6  15 2
            18    4  16 2
            19   16  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   19  21 1
            24   19  22 1

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