KEGG   DRUG: Diprenorphine hydrochloride
Entry
D07864                      Drug                                   
Name
Diprenorphine hydrochloride;
Large Animal Revivon (TN)
Formula
C26H35NO4. HCl
Exact mass
461.2333
Mol weight
462.0213
Structure
Simcomp
Class
Analgesic
 DG01587  Opioid receptor agonist/antagonist
Remark
Chemical structure group: DG01273
Efficacy
Antidote, Narcotic antagonist, Opioid receptor agonist/antagonist
Comment
Morphinan derivative
Target
OPRK1 [HSA:4986] [KO:K04214]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Drug groups [BR:br08330]
 Analgesic
  DG01587  Opioid receptor agonist/antagonist
   DG01273  Diprenorphine
    D07864  Diprenorphine hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07864  Diprenorphine hydrochloride
    OPRK1
     D07864  Diprenorphine hydrochloride
Drug groups [BR:br08330]
 Analgesic
  DG01587  Opioid receptor agonist/antagonist
   DG01273  Diprenorphine
Other DBs
CAS: 16808-86-9
PubChem: 96024560
LigandBox: D07864
NIKKAJI: J391.486K
LinkDB
KCF data

ATOM        32
            1   X   Cl   26.9006  -26.7551
            2   C1z C    20.7900  -22.4000
            3   C1z C    21.9800  -23.1000
            4   C1y C    19.6000  -23.1000
            5   C8y C    20.7900  -21.0700
            6   C1x C    21.9800  -21.7000
            7   C1y C    23.2400  -22.4000
            8   C1x C    21.9800  -24.5000
            9   C1x C    21.4200  -24.1500
            10  C1z C    19.6000  -24.4300
            11  O2x O    18.9700  -21.5600
            12  C8y C    19.6700  -20.3700
            13  C8y C    22.0500  -20.3700
            14  C1x C    24.3600  -21.7000
            15  N1y N    24.3600  -23.1000
            16  C1x C    23.2400  -21.0700
            17  C1y C    20.7900  -25.1300
            18  C1x C    20.2300  -23.4500
            19  C8y C    19.6700  -18.9700
            20  C8x C    22.0500  -18.9700
            21  C1b C    25.5500  -22.4700
            22  C8x C    20.8600  -18.2700
            23  O1a O    18.4800  -18.2700
            24  C1y C    26.7400  -23.1700
            25  C1x C    27.4400  -24.3600
            26  C1x C    28.1400  -23.1700
            27  C1d C    21.4900  -26.3200
            28  C1a C    22.8900  -26.3200
            29  C1a C    20.7900  -27.5100
            30  O1a O    22.1900  -27.5100
            31  C1a C    17.2200  -24.4300
            32  O2a O    18.4100  -25.1300
BOND        37
            1     2   6 1 #Up
            2     3   7 1
            3     3   8 1
            4     3   9 1 #Down
            5     4  10 1
            6     4  11 1 #Down
            7     5  12 1
            8     5  13 2
            9     6  14 1
            10    7  15 1 #Up
            11    7  16 1
            12    8  17 1
            13    9  18 1
            14   12  19 2
            15   13  20 1
            16   15  21 1
            17   19  22 1
            18   19  23 1
            19   10  17 1
            20   10  18 1 #Down
            21   11  12 1
            22   13  16 1
            23   15  14 1 #Up
            24   20  22 2
            25    2   3 1
            26   21  24 1
            27    2   4 1
            28    2   5 1
            29   24  25 1
            30   24  26 1
            31   26  25 1
            32   17  27 1
            33   27  28 1
            34   27  29 1
            35   27  30 1
            36   31  32 1
            37   32  10 1

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