KEGG   DRUG: DihydrocodeineHelp
Entry
D07831                      Drug                                   

Name
Dihydrocodeine (INN);
Remedacen (TN)
Formula
C18H23NO3
Exact mass
301.1678
Mol weight
301.3801
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Analgesic
 DG01984  Opioid analgesics
Enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: N02AA08
Chemical structure group: DG00814
Product (DG00814): D01481<JP>
Efficacy
Analgesic (narcotic), Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: UGT2B7 [HSA:7364], UGT2B4 [HSA:7363]; CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Drug interaction
Structure map
map07224  Opioid receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AA Natural opium alkaloids
     N02AA08 Dihydrocodeine
      D07831  Dihydrocodeine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Dihydrocodeine
    D07831  Dihydrocodeine (INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Dihydrocodeine
    D07831  Dihydrocodeine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07831  Dihydrocodeine (INN)
BRITE hierarchy
Other DBs
CAS: 125-28-0
PubChem: 96024528
ChEMBL: CHEMBL1595
DrugBank: DB01551
LigandBox: D07831
NIKKAJI: J5.368F
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1z C    23.5200  -18.5500
            2   C8y C    23.5200  -17.2900
            3   C1y C    24.6400  -19.2500
            4   C1y C    22.4000  -19.2500
            5   C1x C    24.4300  -17.6400
            6   C8y C    22.4000  -16.6600
            7   C8y C    24.6400  -16.6600
            8   C1y C    25.7600  -18.6200
            9   C1x C    24.6400  -20.5100
            10  O2x O    21.1400  -17.9200
            11  C1y C    22.4000  -20.5100
            12  C1x C    26.8800  -17.6400
            13  C8y C    22.4000  -15.3300
            14  C1x C    25.7600  -17.2900
            15  C8x C    24.6400  -15.3300
            16  N1y N    26.8800  -19.2500
            17  C1x C    23.5200  -21.2100
            18  C8x C    23.5200  -14.7000
            19  O2a O    21.2800  -14.7000
            20  O1a O    21.2800  -21.2100
            21  C1a C    20.0900  -15.4000
            22  C1a C    28.2800  -19.2500
BOND        26
            1     4  10 1 #Down
            2     4  11 1
            3     5  12 1
            4     6  13 2
            5     7  14 1
            6     7  15 1
            7     8  16 1 #Up
            8     9  17 1
            9    13  18 1
            10   13  19 1
            11    6  10 1
            12    8  14 1
            13   11  17 1
            14   12  16 1
            15   15  18 2
            16   11  20 1 #Down
            17    1   2 1
            18    1   3 1
            19    1   4 1
            20    1   5 1 #Up
            21    2   6 1
            22    2   7 2
            23    3   8 1
            24    3   9 1
            25   19  21 1
            26   16  22 1

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