KEGG   DRUG: Pyrovalerone hydrochloride
Entry
D05663                      Drug                                   

Name
Pyrovalerone hydrochloride (USAN)
Formula
C16H23NO. HCl
Exact mass
281.1546
Mol weight
281.8209
Structure
Efficacy
Stimulant (central), Noradrenaline and dopamine reuptake inhibitor
Target
SLC6A2 (NAT1) [HSA:6530] [KO:K05035]
SLC6A3 (DAT1) [HSA:6531] [KO:K05036]
  Pathway
hsa04721  Synaptic vesicle cycle
hsa04728  Dopaminergic synapse
hsa05030  Cocaine addiction
Brite
Target-based classification of drugs [BR:br08310]
 Transporters
  Solute carrier family
   SLC6
    SLC6A2 (NAT1)
     D05663  Pyrovalerone hydrochloride (USAN)
    SLC6A3 (DAT1)
     D05663  Pyrovalerone hydrochloride (USAN)
Other DBs
CAS: 1147-62-2
PubChem: 47207324
ChEMBL: CHEMBL2104793
LigandBox: D05663
NIKKAJI: J473.068B
LinkDB
KCF data

ATOM        19
            1   C8x C    13.7200  -18.7600
            2   C8y C    13.7200  -20.1600
            3   C8x C    14.9324  -20.8600
            4   C8x C    16.1449  -20.1600
            5   C8y C    16.1449  -18.7600
            6   C8x C    14.9324  -18.0600
            7   C1a C    12.5076  -20.8600
            8   C5a C    17.3760  -18.0490
            9   C1c C    18.5812  -18.7447
            10  O5a O    17.3757  -16.6601
            11  C1b C    19.7635  -18.0619
            12  N1y N    18.5816  -20.1596
            13  C1b C    20.9575  -18.7512
            14  C1a C    22.1454  -18.0652
            15  C1x C    17.4287  -20.9983
            16  C1x C    17.8700  -22.3539
            17  C1x C    19.2957  -22.3531
            18  C1x C    19.7355  -20.9970
            19  X   Cl   23.5900  -21.2100
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     2   7 1
            8     5   8 1
            9     8   9 1
            10    8  10 2
            11    9  11 1
            12    9  12 1
            13   11  13 1
            14   13  14 1
            15   12  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   12  18 1

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