KEGG   DRUG: CentanafadineHelp
Entry
D10697                      Drug                                   

Name
Centanafadine (USAN)
Formula
C15H15N
Exact mass
209.1204
Mol weight
209.2863
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01858
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]
SLC6A4 (HTT) [HSA:6532] [KO:K05037]
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D10697  Centanafadine (USAN)
    SLC6A3 (DAT1)
     D10697  Centanafadine (USAN)
    SLC6A4 (HTT)
     D10697  Centanafadine (USAN)
BRITE hierarchy
Other DBs
CAS: 924012-43-1
PubChem: 254741658
ChEMBL: CHEMBL3301621
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    20.5504  -16.5693
            2   C8y C    20.5504  -17.9676
            3   C8x C    19.3619  -18.6667
            4   C8x C    18.1035  -17.9676
            5   C8y C    18.1035  -16.5693
            6   C8x C    19.3619  -15.8702
            7   C1z C    16.9150  -15.8702
            8   C1y C    15.5168  -15.8702
            9   C1x C    16.2159  -17.0587
            10  C1x C    17.3345  -14.5419
            11  N1x N    16.2159  -13.7029
            12  C1x C    15.0274  -14.5419
            13  C8x C    21.7613  -18.6667
            14  C8x C    22.9723  -17.9676
            15  C8x C    22.9723  -16.5693
            16  C8x C    21.7613  -15.8702
BOND        19
            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     7   5 1 #Up
            8     7   8 1
            9     8   9 1
            10    9   7 1
            11    7  10 1
            12   10  11 1
            13   11  12 1
            14    8  12 1
            15    2  13 1
            16   13  14 2
            17   14  15 1
            18   15  16 2
            19    1  16 1

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