KEGG   DRUG: NicomorphineHelp
Entry
D07285                      Drug                                   

Name
Nicomorphine (INN)
Formula
C29H25N3O5
Exact mass
495.1794
Mol weight
495.5259
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Analgesic
 DG01984  Opioid analgesics
Remark
ATC code: N02AA04
Chemical structure group: DG00812
Efficacy
Analgesic (narcotic)
Comment
Opium alkaloid
Active form of prodrug: Morphine [DR:D08233]
Target
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AA Natural opium alkaloids
     N02AA04 Nicomorphine
      D07285  Nicomorphine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07285  Nicomorphine (INN)
Prodrugs [br08324.html]
 D07285
Prodrugs [br08324.html]
 DG00812
BRITE hierarchy
Other DBs
CAS: 639-48-5
PubChem: 51091622
ChEMBL: CHEMBL2106851
LigandBox: D07285
NIKKAJI: J7.049A
LinkDB All DBs
KCF data Show

ATOM        37
            1   C1z C    25.7600  -19.0400
            2   C8y C    25.7600  -17.7800
            3   C1y C    26.9500  -19.7400
            4   C1y C    24.6400  -19.6700
            5   C1x C    26.9500  -18.4100
            6   C8y C    24.6400  -17.1500
            7   C8y C    26.9500  -17.1500
            8   C1y C    28.0000  -19.0400
            9   C2x C    26.9500  -21.0000
            10  O2x O    23.3100  -18.3400
            11  C1y C    24.6400  -21.0000
            12  C1x C    29.1200  -18.4100
            13  C8y C    24.6400  -15.8200
            14  C1x C    28.0000  -17.8500
            15  C8x C    26.9500  -15.8200
            16  N1y N    29.1200  -19.7400
            17  C2x C    25.7600  -21.7000
            18  O7a O    23.5200  -21.7000
            19  C8x C    25.8300  -15.1900
            20  O7a O    23.5200  -15.1900
            21  C1a C    30.5200  -19.7400
            22  C7a C    23.5459  -23.0998
            23  O6a O    24.7512  -23.7665
            24  C8y C    22.3276  -23.8336
            25  C8x C    21.0901  -23.1498
            26  N5x N    19.9611  -23.8725
            27  C8x C    19.9174  -25.2723
            28  C8x C    21.1549  -25.9561
            29  C8x C    22.3539  -25.2334
            30  C7a C    22.3155  -15.9035
            31  C8y C    21.1007  -15.2201
            32  O6a O    22.3311  -17.2900
            33  C8x C    21.0854  -13.7901
            34  C8x C    19.8655  -13.1031
            35  C8x C    18.6607  -13.8160
            36  N5x N    18.6759  -15.2460
            37  C8x C    19.8958  -15.9330
BOND        43
            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    6  10 1
            21    8  14 1
            22   11  17 1
            23   12  16 1
            24   15  19 1
            25   16  21 1
            26   18  22 1
            27   22  23 2
            28   22  24 1
            29   24  25 1
            30   25  26 2
            31   26  27 1
            32   27  28 2
            33   28  29 1
            34   24  29 2
            35   20  30 1
            36   30  31 1
            37   30  32 2
            38   31  33 2
            39   33  34 1
            40   34  35 2
            41   35  36 1
            42   36  37 2
            43   31  37 1

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