KEGG   DRUG: Nalfurafine hydrochlorideHelp
Entry
D06405                      Drug                                   

Name
Nalfurafine hydrochloride (JAN/USAN)
Formula
C28H32N2O5. HCl
Exact mass
512.2078
Mol weight
513.025
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1190
ATC code: V03AX02
Product: D06405<JP>
Efficacy
Antipruritic, kappa-Opioid receptor agonist
Target
OPRK1 [HSA:4986] [KO:K04214]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Drug interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AX Other therapeutic products
     V03AX02 Nalfurafine
      D06405  Nalfurafine hydrochloride (JAN/USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D06405  Nalfurafine hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRK1
     D06405  Nalfurafine hydrochloride (JAN/USAN) <JP>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D06405
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D06405
BRITE hierarchy
Other DBs
CAS: 152658-17-8
PubChem: 47208062
ChEMBL: CHEMBL490665
LigandBox: D06405
LinkDB All DBs
KCF data Show

ATOM        36
            1   X   Cl   23.1908  -10.2219
            2   C1z C    15.4700  -11.6200
            3   C8y C    15.4700  -10.2900
            4   C1z C    16.6600  -12.3200
            5   C1y C    14.3500  -12.2500
            6   C1x C    16.6600  -10.9900
            7   C8y C    14.3500   -9.6600
            8   C8y C    16.6600   -9.6600
            9   C1y C    17.7800  -11.6200
            10  C1x C    16.6600  -13.5800
            11  O2x O    13.0900  -10.9200
            12  C1y C    14.3500  -13.5800
            13  C1x C    18.9000  -10.9900
            14  C8y C    14.3500   -8.3300
            15  C1x C    17.7800  -10.3600
            16  C8x C    16.6600   -8.3300
            17  N1y N    18.9000  -12.3200
            18  C1x C    15.4700  -14.2800
            19  N1c N    13.3000  -14.2800
            20  C8x C    15.5400   -7.7000
            21  O1a O    13.3000   -7.7000
            22  O1a O    17.9200  -13.2300
            23  C1b C    20.3000  -12.3200
            24  C1y C    21.0000  -13.5100
            25  C1x C    21.0178  -14.9116
            26  C1x C    22.1657  -14.1839
            27  C5a C    12.0450  -13.6595
            28  C1a C    13.3201  -15.6771
            29  C2b C    10.8811  -14.4354
            30  O5a O    12.0243  -12.2526
            31  C2b C     9.5950  -13.7995
            32  C8y C     8.4311  -14.5755
            33  C8x C     8.4311  -15.9755
            34  C8x C     7.0996  -14.1428
            35  C8x C     6.2767  -15.2755
            36  O2x O     7.0996  -16.4081
BOND        41
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1 #Up
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     4  10 1
            9     5  11 1 #Down
            10    5  12 1
            11    6  13 1
            12    7  14 1
            13    8  15 1
            14    8  16 2
            15    9  17 1 #Up
            16   10  18 1
            17   12  19 1 #Up
            18   14  20 2
            19   14  21 1
            20    7  11 1
            21    9  15 1
            22   12  18 1
            23   13  17 1
            24   16  20 1
            25    4  22 1 #Up
            26   17  23 1
            27   23  24 1
            28   24  25 1
            29   24  26 1
            30   25  26 1
            31   19  27 1
            32   19  28 1
            33   27  29 1
            34   27  30 2
            35   29  31 2
            36   31  32 1
            37   32  33 2
            38   32  34 1
            39   34  35 2
            40   35  36 1
            41   33  36 1

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