KEGG   DRUG: AmitifadineHelp
Entry
D10088                      Drug                                   

Name
Amitifadine (USAN)
Formula
C11H11Cl2N
Exact mass
227.0269
Mol weight
228.1177
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01386
Efficacy
Antidepressant
Comment
Treatment of depression
Target
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
SLC6A3 (DAT1) [HSA:6531] [KO:K05036]
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D10088  Amitifadine (USAN)
    SLC6A3 (DAT1)
     D10088  Amitifadine (USAN)
    SLC6A4 (HTT)
     D10088  Amitifadine (USAN)
BRITE hierarchy
Other DBs
CAS: 410074-73-6
PubChem: 135626807
ChEMBL: CHEMBL592374
LigandBox: D10088
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8x C    24.0800  -17.8500
            2   C8y C    24.0800  -19.2500
            3   C8y C    22.8900  -19.9500
            4   C8x C    21.6300  -19.2500
            5   C8y C    21.6300  -17.8500
            6   C8x C    22.8900  -17.1500
            7   X   Cl   22.8900  -21.3500
            8   X   Cl   25.2700  -19.9500
            9   C1z C    20.4400  -17.1500
            10  C1y C    19.0400  -17.1500
            11  C1x C    19.7400  -18.3400
            12  C1x C    20.8600  -15.8200
            13  N1x N    19.7400  -14.9800
            14  C1x C    18.5500  -15.8200
BOND        16
            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     3   7 1
            8     2   8 1
            9     9   5 1 #Up
            10    9  10 1
            11   10  11 1
            12   11   9 1
            13    9  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1

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