KEGG   DRUG: DasotralineHelp
Entry
D10700                      Drug                                   

Name
Dasotraline (USAN/INN)
Formula
C16H15Cl2N
Exact mass
291.0582
Mol weight
292.203
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01989
Efficacy
Antidepressant, Noradrenalin and dopamine reuptake inhibitor
Comment
Treatment of attention deficit hyperactivity disorder (ADHD)
Target
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)
     D10700  Dasotraline (USAN/INN)
    SLC6A3 (DAT1)
     D10700  Dasotraline (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 675126-05-3
PubChem: 254741661
ChEMBL: CHEMBL3301595
LinkDB All DBs
KCF data Show

ATOM        19
            1   C8y C    18.6962  -14.7747
            2   C1y C    19.8865  -15.4749
            3   C8y C    18.6962  -13.3742
            4   C8x C    17.4359  -15.4749
            5   C8y C    19.8865  -16.8753
            6   C1x C    21.0769  -14.7747
            7   C1y C    19.8865  -12.6740
            8   C8x C    17.4359  -12.6740
            9   C8x C    16.2455  -14.7747
            10  C8x C    18.6261  -17.5755
            11  C8x C    21.0769  -17.5755
            12  C1x C    21.0769  -13.3742
            13  C8x C    16.2455  -13.3742
            14  C8y C    18.6261  -18.9758
            15  C8x C    21.0769  -18.9758
            16  C8y C    19.8865  -19.6760
            17  X   Cl   17.4359  -19.6760
            18  X   Cl   19.8865  -21.0765
            19  N1a N    19.8865  -11.2736
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1 #Up
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    8  13 1
            13   10  14 1
            14   11  15 2
            15   14  16 2
            16   14  17 1
            17   16  18 1
            18    7  12 1
            19    9  13 2
            20   15  16 1
            21    7  19 1 #Down

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