KEGG   DRUG: Eptazocine
Entry
D07904                      Drug                                   

Name
Eptazocine (INN)
Formula
C15H21NO
Exact mass
231.1623
Mol weight
231.3333
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
 DG01586  Opioid receptor antagonist
Remark
Chemical structure group: DG01340
Product (DG01340): D01879<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
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07904  Eptazocine (INN)
    OPRK1
     D07904  Eptazocine (INN)
Other DBs
CAS: 72522-13-5
PubChem: 96024600
ChEMBL: CHEMBL3305534 CHEMBL70566
LigandBox: D07904
NIKKAJI: J21.210E
LinkDB
KCF data

ATOM        17
            1   C1z C    20.7900  -24.0800
            2   C8y C    20.7900  -22.7500
            3   C1x C    22.0500  -24.7800
            4   C1a C    19.6700  -24.7100
            5   C1x C    22.0500  -23.4500
            6   C8x C    19.6700  -22.1200
            7   C8y C    22.0500  -22.1200
            8   C1y C    23.1700  -24.0800
            9   C8y C    19.6700  -20.7900
            10  C1x C    23.1700  -22.8200
            11  C8x C    22.0500  -20.7900
            12  C8x C    20.8600  -20.0900
            13  O1a O    18.5500  -20.0900
            14  C1x C    24.3600  -24.7800
            15  N1y N    25.7600  -24.7800
            16  C1x C    25.7600  -23.4500
            17  C1a C    26.8100  -25.7600
BOND        19
            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     6   9 1
            9     7  10 1
            10    7  11 2
            11    9  12 2
            12    9  13 1
            13    8  10 1
            14   11  12 1
            15    8  14 1 #Up
            16   14  15 1
            17   15  16 1
            18   16   5 1
            19   15  17 1

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KEGG   DRUG: Eptazocine hydrobromide
Entry
D01879                      Drug                                   

Name
Eptazocine hydrobromide (JAN);
Sedapain (TN)
Formula
C15H21NO. HBr
Exact mass
311.0885
Mol weight
312.2453
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
 DG01586  Opioid receptor antagonist
Remark
Therapeutic category: 1149
Chemical structure group: DG01340
Product (DG01340): D01879<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
Structure map
map07224  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
     D01879  Eptazocine hydrobromide (JAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D01879  Eptazocine hydrobromide (JAN) <JP>
    OPRK1
     D01879  Eptazocine hydrobromide (JAN) <JP>
Other DBs
CAS: 72150-17-5
PubChem: 7848941
ChEBI: 31553
LigandBox: D01879
NIKKAJI: J358.594H
LinkDB
KCF data

ATOM        18
            1   X   Br   23.8750  -20.2320
            2   C1z C    19.9500  -23.3100
            3   C8y C    19.9500  -21.9800
            4   C1x C    21.2100  -24.0100
            5   C1a C    18.8300  -23.9400
            6   C1x C    21.2100  -22.6800
            7   C8x C    18.8300  -21.3500
            8   C8y C    21.2100  -21.3500
            9   C1y C    22.3300  -23.3100
            10  C8y C    18.8300  -20.0200
            11  C1x C    22.3300  -22.0500
            12  C8x C    21.2100  -20.0200
            13  C8x C    20.0200  -19.3200
            14  O1a O    17.7100  -19.3200
            15  C1x C    23.5545  -23.9887
            16  N1y N    24.9545  -23.9887
            17  C1x C    24.9545  -22.6587
            18  C1a C    25.9373  -24.9718
BOND        19
            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     7  10 1
            9     8  11 1
            10    8  12 2
            11   10  13 2
            12   10  14 1
            13    9  11 1
            14   12  13 1
            15    9  15 1 #Up
            16   15  16 1
            17   16  17 1
            18   17   6 1
            19   16  18 1

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