KEGG   DRUG: D00498Help
Entry
D00498                      Drug                                   

Name
Pentazocine (JP16/USP/INN);
Fortral (TN)
Formula
C19H27NO
Exact mass
285.2093
Mol weight
285.4238
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Analgesic
Remark
Same as: 
Therapeutic category: 
ATC code: 
Target
kappa-opioid receptor agonist [HSA:4986] [KO:K04214];
mu-opioid receptor partial antagonist [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction  
 
Interaction
Drug interaction
Structure map
Opioid analgesics
Opioid receptor agonists/antagonists
Brite
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 (JP16/USP/INN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AD Benzomorphan derivatives
     N02AD01 Pentazocine
      D00498  Pentazocine (JP16/USP/INN)
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Pentazocine
    D00498  Pentazocine (JP16/USP/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    mu-opioid receptor [HSA:4988] [KO:K04215]
     Pentazocine [ATC:N02AD01]
      D00498  Pentazocine (JP16/USP/INN)
    kappa-opioid receptor [HSA:4986] [KO:K04214]
     Pentazocine [ATC:N02AD01]
      D00498  Pentazocine (JP16/USP/INN)
BRITE hierarchy
Other DBs
CAS: 
359-83-1
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
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

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