KEGG   DRUG: Centanafadine hydrochloride
Entry
D10698                      Drug                                   

Name
Centanafadine hydrochloride (USAN)
Formula
C15H15N. HCl
Exact mass
245.0971
Mol weight
245.7472
Structure
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]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04726  Serotonergic synapse
hsa04728  Dopaminergic synapse
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D10698  Centanafadine hydrochloride (USAN)
    SLC6A3 (DAT1)
     D10698  Centanafadine hydrochloride (USAN)
    SLC6A4 (HTT)
     D10698  Centanafadine hydrochloride (USAN)
Other DBs
CAS: 923981-14-0
PubChem: 254741659
ChEMBL: CHEMBL3301615
LinkDB
KCF data

ATOM        17
            1   C8y C    22.9600  -17.1500
            2   C8y C    22.9600  -18.5500
            3   C8x C    21.7700  -19.2500
            4   C8x C    20.5100  -18.5500
            5   C8y C    20.5100  -17.1500
            6   C8x C    21.7700  -16.4500
            7   C1z C    19.3200  -16.4500
            8   C1y C    17.9200  -16.4500
            9   C1x C    18.6200  -17.6400
            10  C1x C    19.7400  -15.1200
            11  N1x N    18.6200  -14.2800
            12  C1x C    17.4300  -15.1200
            13  C8x C    24.1500  -19.2500
            14  C8x C    25.3400  -18.5500
            15  C8x C    25.3400  -17.1500
            16  C8x C    24.1500  -16.4500
            17  X   Cl   28.0700  -17.9200
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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