KEGG   DRUG: PentazocineHelp
Entry
D00498                      Drug                                   

Name
Pentazocine (JP17/USP/INN);
Fortral (TN)
Formula
C19H27NO
Exact mass
285.2093
Mol weight
285.4238
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
Same as: C07421
Therapeutic category: 1149
ATC code: N02AD01
Chemical structure group: DG00819
Product (DG00819): D00498<JP> D02227<JP>
Efficacy
Analgesic, Opioid receptor agonist/antagonist
Comment
Benzomorphan derivative
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug 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
    N02AD Benzomorphan derivatives
     N02AD01 Pentazocine
      D00498  Pentazocine (JP17/USP/INN) <JP>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Pentazocine
    D00498  Pentazocine (JP17/USP/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
     D00498  Pentazocine (JP17/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D00498  Pentazocine (JP17/USP/INN) <JP>
    OPRK1
     D00498  Pentazocine (JP17/USP/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00498  Pentazocine
BRITE hierarchy
Other DBs
CAS: 359-83-1
PubChem: 7847564
ChEBI: 7982
ChEMBL: CHEMBL560
DrugBank: DB00652
LigandBox: D00498
NIKKAJI: J252.834G
LinkDB All DBs
KCF data Show

ATOM        21
            1   C1z C     8.0048   -9.4999
            2   C8y C     8.0048   -8.1768
            3   C1y C     9.1886  -10.1961
            4   C1a C     6.8906  -10.1266
            5   C1x C     9.1886   -8.8732
            6   C8x C     6.8906   -7.5501
            7   C8y C     9.1886   -7.5501
            8   C1y C    10.3027   -9.4999
            9   C1x C    11.4168   -8.8732
            10  C8y C     6.8906   -6.2271
            11  C1x C    10.3027   -8.2464
            12  C8x C     9.1886   -6.2271
            13  N1y N    11.4168  -10.1961
            14  C8x C     8.0744   -5.6004
            15  O1a O     5.7765   -5.6004
            16  C1b C    12.8147  -10.1961
            17  C2b C    13.5172  -11.4126
            18  C1a C     9.2080  -11.6195
            19  C2c C    14.9100  -11.4125
            20  C1a C    15.6090  -12.6230
            21  C1a C    15.6110  -10.1981
BOND        23
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     5   9 1
            9     6  10 1
            10    7  11 1
            11    7  12 2
            12    8  13 1 #Up
            13   10  14 2
            14   10  15 1
            15    8  11 1
            16    9  13 1
            17   12  14 1
            18   13  16 1
            19   16  17 1
            20    3  18 1 #Down
            21   17  19 2
            22   19  20 1
            23   19  21 1

» Japanese version   » Back

KEGG   DRUG: Pentazocine lactateHelp
Entry
D02111                      Drug                                   

Name
Pentazocine lactate (USP);
Talwin (TN)
Formula
C19H27NO. C3H6O3
Exact mass
375.241
Mol weight
375.5017
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
ATC code: N02AD01
Chemical structure group: DG00819
Product (DG00819): D00498<JP> D02227<JP>
Efficacy
Analgesic, Opioid receptor agonist/antagonist
Comment
Benzomorphan derivative
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug 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
    N02AD Benzomorphan derivatives
     N02AD01 Pentazocine
      D02111  Pentazocine lactate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D02111  Pentazocine lactate (USP)
    OPRK1
     D02111  Pentazocine lactate (USP)
BRITE hierarchy
Other DBs
CAS: 17146-95-1
PubChem: 7849172
ChEMBL: CHEMBL1200327
DrugBank: DB00652
LigandBox: D02111
NIKKAJI: J349.622H
LinkDB All DBs
KCF data Show

ATOM        27
            1   O1a O    36.9967  -17.3156
            2   C1c C    38.2132  -18.0180
            3   C6a C    39.4297  -17.3156
            4   O6a O    40.6462  -18.0180
            5   C1a C    38.2132  -19.4227
            6   O6a O    39.4297  -15.9109
            7   C1z C    27.3967  -19.1883
            8   C8y C    27.3967  -17.8418
            9   C1y C    28.6015  -19.8969
            10  C1a C    26.2628  -19.8261
            11  C1x C    28.6015  -18.5505
            12  C8x C    26.2628  -17.2040
            13  C8y C    28.6015  -17.2040
            14  C1y C    29.7354  -19.1883
            15  C1x C    30.8692  -18.5505
            16  C8y C    26.2628  -15.8575
            17  C1x C    29.7354  -17.9126
            18  C8x C    28.6015  -15.8575
            19  N1y N    30.8692  -19.8969
            20  C8x C    27.4676  -15.2197
            21  O1a O    25.1289  -15.2197
            22  C1b C    32.2919  -19.8969
            23  C2b C    33.0069  -21.1349
            24  C1a C    28.6213  -21.3455
            25  C2c C    34.4244  -21.1348
            26  C1a C    35.1357  -22.3668
            27  C1a C    35.1378  -19.8989
BOND        28
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     2   5 1
            5     3   6 2
            6     7   8 1
            7     7   9 1
            8     7  10 1
            9     7  11 1 #Up
            10    8  12 2
            11    8  13 1
            12    9  14 1
            13   11  15 1
            14   12  16 1
            15   13  17 1
            16   13  18 2
            17   14  19 1 #Up
            18   16  20 2
            19   16  21 1
            20   14  17 1
            21   15  19 1
            22   18  20 1
            23   19  22 1
            24   22  23 1
            25    9  24 1 #Down
            26   23  25 2
            27   25  26 1
            28   25  27 1

» Japanese version   » Back

KEGG   DRUG: Pentazocine hydrochlorideHelp
Entry
D02227                      Drug                                   

Name
Pentazocine hydrochloride (JAN/USP);
Sosegon (TN);
Talacen (TN)
Formula
C19H27NO. HCl
Exact mass
321.1859
Mol weight
321.8847
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Remark
Therapeutic category: 1149
ATC code: N02AD01
Chemical structure group: DG00819
Product (DG00819): D00498<JP> D02227<JP>
Efficacy
Analgesic, Opioid receptor agonist/antagonist
Comment
Benzomorphan derivative
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug 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
    N02AD Benzomorphan derivatives
     N02AD01 Pentazocine
      D02227  Pentazocine hydrochloride (JAN/USP) <JP>
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Pentazocine
    D02227  Pentazocine hydrochloride (JAN/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
     D02227  Pentazocine hydrochloride (JAN/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D02227  Pentazocine hydrochloride (JAN/USP) <JP>
    OPRK1
     D02227  Pentazocine hydrochloride (JAN/USP) <JP>
BRITE hierarchy
Other DBs
CAS: 64024-15-3
PubChem: 7849286
DrugBank: DB00652
LigandBox: D02227
NIKKAJI: J355.237C
LinkDB All DBs
KCF data Show

ATOM        22
            1   X   Cl   38.7586  -17.6371
            2   C1z C    32.2000  -20.1600
            3   C8y C    32.2000  -18.8300
            4   C1y C    33.4600  -20.8600
            5   C1a C    31.0800  -20.7900
            6   C1x C    33.4600  -19.5300
            7   C8x C    31.0800  -18.2000
            8   C8y C    33.4600  -18.2000
            9   C1y C    34.5800  -20.1600
            10  C1x C    35.7000  -19.5300
            11  C8y C    31.0800  -16.8700
            12  C1x C    34.5800  -18.9000
            13  C8x C    33.4600  -16.8700
            14  N1y N    35.7000  -20.8600
            15  C8x C    32.2700  -16.1700
            16  O1a O    29.9600  -16.1700
            17  C1b C    37.1000  -20.8600
            18  C2b C    37.8700  -22.1200
            19  C1a C    33.4600  -22.3300
            20  C2c C    39.2700  -22.1200
            21  C1a C    39.9700  -23.3800
            22  C1a C    39.9700  -20.8600
BOND        23
            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     6  10 1
            9     7  11 1
            10    8  12 1
            11    8  13 2
            12    9  14 1 #Up
            13   11  15 2
            14   11  16 1
            15    9  12 1
            16   10  14 1
            17   13  15 1
            18   14  17 1
            19   17  18 1
            20    4  19 1 #Down
            21   18  20 2
            22   20  21 1
            23   20  22 1

» Japanese version   » Back

DBGET integrated database retrieval system