KEGG   DRUG: Ethylmorphine
Entry
D07929                      Drug                                   

Name
Ethylmorphine (BAN)
Formula
C19H23NO3
Exact mass
313.1678
Mol weight
313.3908
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Metabolizing enzyme substrate
 DG02913  CYP3A4 substrate
Remark
Same as: C07537
ATC code: R05DA01 S01XA06
Chemical structure group: DG01074
Efficacy
Analgesic (narcotic), Antitussive, Opioid receptor agonist
Comment
Opium alkaloid
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R05 COUGH AND COLD PREPARATIONS
   R05D COUGH SUPPRESSANTS, EXCL. COMBINATIONS WITH EXPECTORANTS
    R05DA Opium alkaloids and derivatives
     R05DA01 Ethylmorphine
      D07929  Ethylmorphine (BAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA06 Ethylmorphine
      D07929  Ethylmorphine (BAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07929  Ethylmorphine (BAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D07929
Other DBs
CAS: 76-58-4
PubChem: 96024624
ChEBI: 4902
ChEMBL: CHEMBL1712170
DrugBank: DB01466
LigandBox: D07929
NIKKAJI: J4.179C
LinkDB
KCF data

ATOM        23
            1   C1z C    24.0800  -18.6200
            2   C8y C    24.0800  -17.2900
            3   C1y C    25.2000  -19.3200
            4   C1y C    22.9600  -19.2500
            5   C1x C    25.2000  -17.9900
            6   C8y C    22.9600  -16.6600
            7   C8y C    25.2000  -16.6600
            8   C1y C    26.3200  -18.6200
            9   C2x C    25.2000  -20.5800
            10  O2x O    21.6300  -17.9200
            11  C1y C    22.9600  -20.5800
            12  C1x C    27.4400  -17.9900
            13  C8y C    22.9600  -15.3300
            14  C1x C    26.3200  -17.3600
            15  C8x C    25.2000  -15.3300
            16  N1y N    27.4400  -19.3200
            17  C2x C    24.0800  -21.2800
            18  O1a O    21.8400  -21.2800
            19  C8x C    24.1500  -14.7000
            20  O2a O    21.8400  -14.7000
            21  C1b C    20.6500  -15.3300
            22  C1a C    28.8400  -19.3200
            23  C1a C    19.4600  -14.6300
BOND        27
            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     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 2
            17   11  18 1 #Down
            18   13  19 2
            19   13  20 1
            20   20  21 1
            21    6  10 1
            22    8  14 1
            23   11  17 1
            24   12  16 1
            25   15  19 1
            26   16  22 1
            27   21  23 1

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