KEGG   DRUG: CebranopadolHelp
Entry
D10436                      Drug                                   

Name
Cebranopadol (USAN/INN)
Formula
C24H27FN2O
Exact mass
378.2107
Mol weight
378.4824
Structure
Mol fileKCF fileDB search
Class
Neuropsychiatric agent
 DG01564  Opioid receptor agonist
  DG01563  mu-Opioid receptor agonist
Efficacy
Analgesic, Nociceptin receptor agonist, Opioid receptor agonist
Comment
Treatment of pain
Target
OPRL1 [HSA:4987] [KO:K04216]
OPRM1 [HSA:4988] [KO:K04215]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D10436  Cebranopadol (USAN/INN)
    OPRL1
     D10436  Cebranopadol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 863513-91-1
PubChem: 172232529
ChEMBL: CHEMBL2364605
LinkDB All DBs
KCF data Show

ATOM        28
            1   O2x O    25.4800  -24.7800
            2   C1x C    25.4800  -26.1800
            3   C1x C    26.6700  -26.8800
            4   C8y C    27.9300  -26.1800
            5   C8y C    27.9300  -24.7800
            6   C1z C    26.6700  -24.0800
            7   C8y C    29.2600  -26.6000
            8   C8y C    30.0300  -25.4800
            9   N4x N    29.2600  -24.3600
            10  C8x C    31.4300  -25.4800
            11  C8x C    32.1300  -26.6700
            12  C8y C    31.4300  -27.8600
            13  C8x C    30.0300  -27.8600
            14  C1x C    27.8600  -23.3800
            15  C1x C    27.8600  -21.9800
            16  C1x C    25.4100  -23.3800
            17  X   F    32.1251  -29.0753
            18  C1x C    25.3869  -21.9802
            19  C1z C    26.6046  -21.2500
            20  N1c N    27.7993  -20.5577
            21  C8y C    25.3935  -20.5698
            22  C1a C    29.0153  -21.2571
            23  C1a C    27.7969  -19.1800
            24  C8x C    25.3771  -19.1804
            25  C8x C    24.1565  -18.4947
            26  C8x C    22.9524  -19.2089
            27  C8x C    22.9688  -20.5984
            28  C8x C    24.1894  -21.2840
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     6   5 1 #Up
            6     6   1 1 #Down
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    8  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15   13   7 2
            16    6  14 1
            17   14  15 1
            18    6  16 1
            19   12  17 1
            20   16  18 1
            21   18  19 1
            22   15  19 1
            23   19  20 1 #Up
            24   19  21 1 #Down
            25   20  22 1
            26   20  23 1
            27   21  24 2
            28   24  25 1
            29   25  26 2
            30   26  27 1
            31   27  28 2
            32   21  28 1

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