KEGG   DRUG: BevenopranHelp
Entry
D10349                      Drug                                   

Name
Bevenopran (USAN/INN)
Formula
C20H26N4O4
Exact mass
386.1954
Mol weight
386.4448
Structure
Mol fileKCF fileDB search
Class
Gastrointestinal agent
 DG01770  Laxative
  DG01768  Opioid-induced laxative
Analgesic
 DG01586  Opioid receptor antagonist
Efficacy
Laxative, Opioid receptor antagonist
Comment
Treatment of chronic opioid-induced constipation
Target
OPRM1 [HSA:4988] [KO:K04215]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D10349  Bevenopran (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 676500-67-7
PubChem: 172232443
ChEMBL: CHEMBL3039511
LinkDB All DBs
KCF data Show

ATOM        28
            1   O2x O    12.6000  -14.9800
            2   C1x C    12.6000  -16.3800
            3   C1x C    13.8124  -17.0800
            4   C1y C    15.0249  -16.3800
            5   C1x C    15.0249  -14.9800
            6   C1x C    13.8124  -14.2800
            7   C1b C    16.2624  -17.0800
            8   C1b C    17.4749  -16.3800
            9   N1b N    18.6873  -17.0800
            10  C1b C    19.8997  -16.3800
            11  C8y C    21.1122  -17.0800
            12  C8x C    21.1122  -18.4797
            13  C8y C    22.3246  -19.1797
            14  C8y C    23.5371  -18.4797
            15  C8x C    23.5370  -17.0800
            16  C8x C    22.3246  -16.3800
            17  O2a O    24.7368  -19.1725
            18  C8y C    25.9258  -18.4859
            19  N5x N    27.1163  -19.1733
            20  C8x C    28.3288  -18.4734
            21  C8y C    28.3288  -17.0734
            22  N5x N    27.1384  -16.3860
            23  C8x C    25.9259  -17.0859
            24  C5a C    29.5542  -16.3659
            25  N1a N    30.7620  -17.0632
            26  O5a O    29.5540  -14.9801
            27  O2a O    22.3246  -20.5800
            28  C1a C    23.5411  -21.2823
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   11  16 1
            18   14  17 1
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   21  24 1
            27   24  25 1
            28   24  26 2
            29   13  27 1
            30   27  28 1

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