KEGG   DRUG: Ketobemidone
Entry
D08100                      Drug                                   
Name
Ketobemidone (INN)
Formula
C15H21NO2
Exact mass
247.1572
Mol weight
247.33
Structure
Simcomp
Class
Analgesic
 DG01984  Opioid analgesics
Remark
Same as: C11792
ATC code: N02AB01
Chemical structure group: DG00815
Efficacy
Analgesic
Comment
Phenylpiperidine derivative
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
OPRD1 [HSA:4985] [KO:K04213]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AB Phenylpiperidine derivatives
     N02AB01 Ketobemidone
      D08100  Ketobemidone (INN)
Drug groups [BR:br08330]
 Analgesic
  DG01984  Opioid analgesics
   DG00815  Ketobemidone
    D08100  Ketobemidone
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08100  Ketobemidone (INN)
    OPRK1
     D08100  Ketobemidone (INN)
    OPRD1
     D08100  Ketobemidone (INN)
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Control Act Article 2 Table 1 (74 substances)
  D08100
Drug groups [BR:br08330]
 Analgesic
  DG01984  Opioid analgesics
   DG00815  Ketobemidone
Other DBs
CAS: 469-79-4
PubChem: 96024790
ChEBI: 6125
LigandBox: D08100
NIKKAJI: J5.929C
LinkDB
KCF data

ATOM        18
            1   C1z C    24.7800  -18.6900
            2   C8y C    23.5900  -19.3200
            3   C5a C    25.9700  -19.3200
            4   C1x C    23.5900  -17.9200
            5   C1x C    25.9700  -17.9200
            6   C8x C    23.5900  -20.7200
            7   C8x C    22.3300  -18.6200
            8   C1b C    27.1600  -18.6900
            9   O5a O    25.9700  -20.7900
            10  C1x C    23.5900  -16.5900
            11  C1x C    25.9700  -16.5900
            12  C8x C    22.3300  -21.4900
            13  C8y C    21.1400  -19.3200
            14  N1y N    24.7800  -15.8200
            15  C8x C    21.1400  -20.7200
            16  C1a C    24.7800  -14.4200
            17  O1a O    19.9500  -18.6900
            18  C1a C    28.4200  -19.3900
BOND        19
            1     1   3 1
            2     1   4 1
            3     1   5 1
            4     2   6 1
            5     2   7 2
            6     3   8 1
            7     3   9 2
            8     4  10 1
            9     5  11 1
            10    6  12 2
            11    7  13 1
            12   10  14 1
            13   12  15 1
            14   14  16 1
            15   11  14 1
            16   13  15 2
            17   13  17 1
            18    1   2 1
            19    8  18 1

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