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
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

DBGET integrated database retrieval system