KEGG   DRUG: Dasotraline hydrochloride
Entry
D10870                      Drug                                   

Name
Dasotraline hydrochloride (USAN)
Formula
C16H15Cl2N. HCl
Exact mass
327.0348
Mol weight
328.6639
Structure
Simcomp
Remark
Chemical structure group: DG01989
Efficacy
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]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04728  Dopaminergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D10870  Dasotraline hydrochloride (USAN)
    SLC6A3 (DAT1)
     D10870  Dasotraline hydrochloride (USAN)
Other DBs
CAS: 675126-08-6
PubChem: 319902670
ChEMBL: CHEMBL3301596
LinkDB
KCF data

ATOM        20
            1   C8y C    18.6957  -14.7745
            2   C1y C    19.8860  -15.4747
            3   C8y C    18.6957  -13.3741
            4   C8x C    17.4353  -15.4747
            5   C8y C    19.8860  -16.8751
            6   C1x C    21.0764  -14.7745
            7   C1y C    19.8860  -12.6738
            8   C8x C    17.4353  -12.6738
            9   C8x C    16.2449  -14.7745
            10  C8x C    18.6256  -17.5753
            11  C8x C    21.0764  -17.5753
            12  C1x C    21.0764  -13.3741
            13  C8x C    16.2449  -13.3741
            14  C8y C    18.6256  -18.9757
            15  C8x C    21.0764  -18.9757
            16  C8y C    19.8860  -19.6760
            17  X   Cl   17.4353  -19.6760
            18  X   Cl   19.8860  -21.0764
            19  N1a N    19.8860  -11.2734
            20  X   Cl   24.2200  -17.0100
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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