KEGG   DRUG: Diprenorphine
Entry
D07863                      Drug                                   

Name
Diprenorphine (INN)
Formula
C26H35NO4
Exact mass
425.2566
Mol weight
425.5604
Structure
Simcomp
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
Remark
Same as: C11794
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
Interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07863  Diprenorphine (INN)
    OPRK1
     D07863  Diprenorphine (INN)
Other DBs
CAS: 14357-78-9
PubChem: 96024559
ChEBI: 4650
ChEMBL: CHEMBL281786
DrugBank: DB01548
LigandBox: D07863
NIKKAJI: J87.543K
LinkDB
KCF data

ATOM        31
            1   C1z C    20.6500  -21.7700
            2   C1z C    21.8400  -22.4700
            3   C1y C    19.4600  -22.4700
            4   C8y C    20.6500  -20.4400
            5   C1x C    21.8400  -21.0700
            6   C1y C    23.0300  -21.7700
            7   C1x C    21.8400  -23.8700
            8   C1x C    21.2800  -23.5200
            9   C1z C    19.4600  -23.8000
            10  O2x O    18.8300  -20.9300
            11  C8y C    19.5300  -19.7400
            12  C8y C    21.9100  -19.7400
            13  C1x C    24.2200  -21.0700
            14  N1y N    24.2200  -22.4700
            15  C1x C    23.1000  -20.4400
            16  C1y C    20.6500  -24.5000
            17  C1x C    20.0900  -22.8200
            18  C8y C    19.5300  -18.3400
            19  C8x C    21.9100  -18.3400
            20  C1b C    25.4100  -21.8400
            21  C8x C    20.7200  -17.6400
            22  O1a O    18.3400  -17.6400
            23  C1y C    26.6000  -22.5400
            24  C1x C    27.3000  -23.7300
            25  C1x C    28.0000  -22.5400
            26  C1d C    21.3500  -25.6900
            27  C1a C    22.7500  -25.6900
            28  C1a C    20.6500  -26.8800
            29  O1a O    22.0500  -26.8800
            30  C1a C    17.0800  -23.8000
            31  O2a O    18.2700  -24.5000
BOND        37
            1     1   5 1 #Up
            2     2   6 1
            3     2   7 1
            4     2   8 1 #Down
            5     3   9 1
            6     3  10 1 #Down
            7     4  11 1
            8     4  12 2
            9     5  13 1
            10    6  14 1 #Up
            11    6  15 1
            12    7  16 1
            13    8  17 1
            14   11  18 2
            15   12  19 1
            16   14  20 1
            17   18  21 1
            18   18  22 1
            19    9  16 1
            20    9  17 1 #Down
            21   10  11 1
            22   12  15 1
            23   14  13 1 #Up
            24   19  21 2
            25    1   2 1
            26   20  23 1
            27    1   3 1
            28    1   4 1
            29   23  24 1
            30   23  25 1
            31   25  24 1
            32   16  26 1
            33   26  27 1
            34   26  28 1
            35   26  29 1
            36   30  31 1
            37   31   9 1

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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
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01562  kappa-Opioid receptor agonist
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
Interaction
Structure map
map07039  Opioid analgesics
map07224  Opioid receptor agonists/antagonists
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D07864  Diprenorphine hydrochloride
    OPRK1
     D07864  Diprenorphine hydrochloride
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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