KEGG   DRUG: Buprenorphine
Entry
D07132                      Drug                                   
Name
Buprenorphine (JAN/INN);
Temgesic (TN)
Product
  Generic
Formula
C29H41NO4
Exact mass
467.3036
Mol weight
467.6401
Structure
Simcomp
Class
Analgesic
 DG01984  Opioid analgesics
 DG01586  Opioid receptor antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C08007
Therapeutic category: 1149
ATC code: N02AE01 N07BC01
Chemical structure group: DG00820
Product (DG00820): D07132<JP/US> D00836<JP/US>
Product (mixture): D10250<US>
Efficacy
Analgesic, Opioid receptor agonist/antagonist
Comment
Morphinan derivative, Oripavine derivative
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AE Oripavine derivatives
     N02AE01 Buprenorphine
      D07132  Buprenorphine (JAN/INN) <JP/US>
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BC Drugs used in opioid dependence
     N07BC01 Buprenorphine
      D07132  Buprenorphine (JAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Long-acting
   Buprenorphine
    D07132  Buprenorphine (JAN/INN)
 Anti-Addiction/Substance Abuse Treatment Agents
  Opioid Dependence
   Buprenorphine
    D07132  Buprenorphine (JAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   114  Antipyretics and analgesics, anti-inflammatory agents
    1149  Others
     D07132  Buprenorphine (JAN/INN)
Drug groups [BR:br08330]
 Analgesic
  DG01984  Opioid analgesics
   DG00820  Buprenorphine
    D07132  Buprenorphine
  DG01586  Opioid receptor antagonist
   DG00820  Buprenorphine
    D07132  Buprenorphine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00820  Buprenorphine
     D07132  Buprenorphine
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07132  Buprenorphine (JAN/INN) <JP/US>
    OPRK1
     D07132  Buprenorphine (JAN/INN) <JP/US>
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D07132
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D07132
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D07132
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07132
Drug groups [BR:br08330]
 Analgesic
  DG01984  Opioid analgesics
   DG00820  Buprenorphine
  DG01586  Opioid receptor antagonist
   DG00820  Buprenorphine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00820  Buprenorphine
Other DBs
CAS: 52485-79-7
PubChem: 51091471
ChEBI: 3216
LigandBox: D07132
NIKKAJI: J291.229E
LinkDB
KCF data

ATOM        34
            1   C1z C    16.5998  -15.1247
            2   C1z C    17.7863  -15.8227
            3   C1y C    15.4132  -15.8227
            4   C8y C    16.5998  -13.7986
            5   C1x C    17.7863  -14.4267
            6   C1y C    18.9729  -15.1247
            7   C1x C    17.7863  -17.2186
            8   C1x C    17.2280  -16.8697
            9   C1z C    15.4132  -17.1488
            10  O2x O    14.7851  -14.2872
            11  C8y C    15.4830  -13.1006
            12  C8y C    17.8561  -13.1006
            13  C1x C    20.1595  -14.4267
            14  N1y N    20.1595  -15.8227
            15  C1x C    18.9727  -13.7986
            16  C1y C    16.5998  -17.8468
            17  C1x C    16.0414  -16.1717
            18  C8y C    15.4830  -11.7047
            19  C8x C    17.8561  -11.7047
            20  C1b C    21.3460  -15.1945
            21  C8x C    16.6696  -11.0067
            22  O1a O    14.2965  -11.0067
            23  C1y C    22.5326  -15.8925
            24  C1x C    23.2305  -17.0790
            25  C1x C    23.9285  -15.8925
            26  O2a O    14.0173  -17.1488
            27  C1a C    13.3193  -15.9400
            28  C1d C    17.2978  -19.0557
            29  C1a C    18.6935  -19.0557
            30  C1d C    16.6094  -20.2477
            31  O1a O    17.9861  -20.2478
            32  C1a C    15.2041  -20.2478
            33  C1a C    17.2930  -21.4316
            34  C1a C    15.7619  -21.4443
BOND        40
            1     1   5 1 #Up
            2     2   6 1
            3     2   7 1
            4     2   8 1 #Down
            5     3   9 1
            6     3  10 1 #Down
            7     4  11 1
            8     4  12 2
            9     5  13 1
            10    6  14 1 #Up
            11    6  15 1
            12    7  16 1
            13    8  17 1
            14   11  18 2
            15   12  19 1
            16   14  20 1
            17   18  21 1
            18   18  22 1
            19    9  16 1
            20    9  17 1 #Down
            21   10  11 1
            22   12  15 1
            23   14  13 1 #Up
            24   19  21 2
            25    1   2 1
            26   20  23 1
            27    1   3 1
            28    1   4 1
            29   23  24 1
            30   23  25 1
            31   25  24 1
            32    9  26 1
            33   26  27 1
            34   16  28 1
            35   28  29 1 #Up
            36   28  30 1
            37   28  31 1 #Down
            38   30  32 1
            39   30  33 1
            40   30  34 1

» Japanese version   » Back

KEGG   DRUG: Buprenorphine hydrochloride
Entry
D00836                      Drug                                   
Name
Buprenorphine hydrochloride (JP18/USP);
Buprenex (TN)
Product
  Generic
Formula
C29H41NO4. HCl
Exact mass
503.2802
Mol weight
504.1011
Structure
Simcomp
Class
Analgesic
 DG01984  Opioid analgesics
 DG01586  Opioid receptor antagonist
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1149
ATC code: N02AE01 N07BC01
Chemical structure group: DG00820
Product (DG00820): D07132<JP/US> D00836<JP/US>
Product (mixture): D10250<US>
Efficacy
Analgesic, Opioid receptor agonist/antagonist
Comment
Morphinan derivative, Oripavine derivative
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AE Oripavine derivatives
     N02AE01 Buprenorphine
      D00836  Buprenorphine hydrochloride (JP18/USP) <JP/US>
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BC Drugs used in opioid dependence
     N07BC01 Buprenorphine
      D00836  Buprenorphine hydrochloride (JP18/USP) <JP/US>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Long-acting
   Buprenorphine
    D00836  Buprenorphine hydrochloride (JP18/USP)
 Anti-Addiction/Substance Abuse Treatment Agents
  Opioid Dependence
   Buprenorphine
    D00836  Buprenorphine hydrochloride (JP18/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   114  Antipyretics and analgesics, anti-inflammatory agents
    1149  Others
     D00836  Buprenorphine hydrochloride (JP18/USP)
Drug groups [BR:br08330]
 Analgesic
  DG01984  Opioid analgesics
   DG00820  Buprenorphine
    D00836  Buprenorphine hydrochloride
  DG01586  Opioid receptor antagonist
   DG00820  Buprenorphine
    D00836  Buprenorphine hydrochloride
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00820  Buprenorphine
     D00836  Buprenorphine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D00836  Buprenorphine hydrochloride (JP18/USP) <JP/US>
    OPRK1
     D00836  Buprenorphine hydrochloride (JP18/USP) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00836  Buprenorphine hydrochloride
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00836
Drug groups [BR:br08330]
 Analgesic
  DG01984  Opioid analgesics
   DG00820  Buprenorphine
  DG01586  Opioid receptor antagonist
   DG00820  Buprenorphine
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00820  Buprenorphine
Other DBs
CAS: 53152-21-9
PubChem: 7847901
ChEBI: 652822
LigandBox: D00836
NIKKAJI: J299.733I
LinkDB
KCF data

ATOM        35
            1   X   Cl   23.5865  -20.2981
            2   C1z C    16.6051  -15.0621
            3   C1z C    17.7919  -15.7602
            4   C1y C    15.4182  -15.7602
            5   C8y C    16.6051  -13.7356
            6   C1x C    17.7919  -14.3639
            7   C1y C    18.9787  -15.0621
            8   C1x C    17.7919  -17.1565
            9   C1x C    17.2334  -16.8074
            10  C1z C    15.4182  -17.0867
            11  O2x O    14.7899  -14.2243
            12  C8y C    15.4880  -13.0375
            13  C8y C    17.8617  -13.0375
            14  C1x C    20.1656  -14.3639
            15  N1y N    20.1656  -15.7602
            16  C1x C    18.9785  -13.7356
            17  C1y C    16.6051  -17.7848
            18  C1x C    16.0466  -16.1093
            19  C8y C    15.4880  -11.6412
            20  C8x C    17.8617  -11.6412
            21  C1b C    21.3524  -15.1319
            22  C8x C    16.6749  -10.9431
            23  O1a O    14.3012  -10.9431
            24  C1y C    22.5392  -15.8300
            25  C1x C    23.2374  -17.0169
            26  C1x C    23.9355  -15.8300
            27  O2a O    14.0220  -17.0867
            28  C1a C    13.3238  -15.8998
            29  C1d C    17.3032  -18.9717
            30  C1a C    18.6995  -18.9717
            31  C1d C    16.6051  -20.1585
            32  O1a O    18.0013  -20.1585
            33  C1a C    15.2088  -20.1585
            34  C1a C    17.3032  -21.3453
            35  C1a C    15.7673  -21.4151
BOND        40
            1     2   6 1 #Up
            2     3   7 1
            3     3   8 1
            4     3   9 1 #Down
            5     4  10 1
            6     4  11 1 #Down
            7     5  12 1
            8     5  13 2
            9     6  14 1
            10    7  15 1 #Up
            11    7  16 1
            12    8  17 1
            13    9  18 1
            14   12  19 2
            15   13  20 1
            16   15  21 1
            17   19  22 1
            18   19  23 1
            19   10  17 1
            20   10  18 1 #Down
            21   11  12 1
            22   13  16 1
            23   15  14 1 #Up
            24   20  22 2
            25    2   3 1
            26   21  24 1
            27    2   4 1
            28    2   5 1
            29   24  25 1
            30   24  26 1
            31   26  25 1
            32   10  27 1
            33   27  28 1
            34   17  29 1
            35   29  30 1 #Up
            36   29  31 1
            37   29  32 1 #Down
            38   31  33 1
            39   31  34 1
            40   31  35 1

» Japanese version   » Back

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