KEGG   DRUG: AxelopranHelp
Entry
D10740                      Drug                                   

Name
Axelopran (USAN/INN)
Formula
C26H39N3O4
Exact mass
457.2941
Mol weight
457.6056
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01857
Efficacy
Laxative, Opioid receptor antagonist
Comment
Treatment of opioid-induced constipation
Target
OPRM1 [HSA:4988] [KO:K04215]
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D10740  Axelopran (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 949904-48-7
PubChem: 254741701
ChEMBL: CHEMBL3137313
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1x C    18.9263  -16.0275
            2   C1x C    20.0784  -10.2669
            3   C1x C    20.0784  -11.6223
            4   C1x C    21.2522  -12.3000
            5   C1y C    22.4262  -11.6223
            6   C1x C    22.4262  -10.2669
            7   C1x C    21.2522   -9.5892
            8   C1b C    21.2522  -13.6554
            9   C1b C    22.4262  -14.3332
            10  N1c N    23.6000  -13.6554
            11  C1b C    23.6000  -12.3000
            12  C5a C    24.7738  -14.3332
            13  C1c C    25.9477  -13.6554
            14  C1b C    27.1216  -14.3332
            15  O1a O    28.2953  -13.6554
            16  N1y N    20.0784  -14.3332
            17  C1y C    19.5244  -16.7946
            18  C1y C    20.4292  -15.6425
            19  C1x C    18.2389  -17.1215
            20  C1x C    21.2643  -16.1169
            21  C1x C    20.4948  -17.0657
            22  C1y C    21.5850  -18.2376
            23  C8y C    21.5850  -19.5930
            24  C8x C    20.3933  -20.2809
            25  C8x C    20.3930  -21.6363
            26  C8x C    21.5669  -22.3143
            27  C8y C    22.7585  -21.6265
            28  C8x C    22.7588  -20.2710
            29  N1a N    23.9321  -23.6599
            30  C5a C    23.9323  -22.3044
            31  O5a O    24.7738  -15.6886
            32  O5a O    25.1062  -21.6267
            33  O1a O    25.9477  -12.3000
BOND        36
            1     2   3 1
            2     3   4 1
            3     4   5 1
            4     5   6 1
            5     6   7 1
            6     2   7 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10    5  11 1
            11   10  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15    8  16 1
            16   16  17 1
            17   16  18 1
            18    1  18 1
            19    1  19 1
            20   19  17 1
            21   18  20 1
            22   17  21 1
            23   21  22 1
            24   20  22 1
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   29  30 1
            33   27  30 1
            34   12  31 2
            35   30  32 2
            36   13  33 1 #Up

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