KEGG   DRUG: Ondelopran
Entry
D10143                      Drug                                   
Name
Ondelopran (USAN/INN);
Odelepran
Formula
C20H24FN3O3
Exact mass
373.1802
Mol weight
373.42
Structure
Simcomp
Remark
ATC code: N07BB06
Chemical structure group: DG01756
Efficacy
Antialcohol dependence
Comment
opioid modulator
Treatment of alcohol dependence
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N07 OTHER NERVOUS SYSTEM DRUGS
   N07B DRUGS USED IN ADDICTIVE DISORDERS
    N07BB Drugs used in alcohol dependence
     N07BB06 Ondelopran
      D10143  Ondelopran (USAN/INN)
Other DBs
CAS: 676501-25-0
PubChem: 135626861
LigandBox: D10143
LinkDB
KCF data

ATOM        27
            1   O2x O    11.7600  -17.5000
            2   C1x C    11.7600  -18.9000
            3   C1x C    12.9724  -19.6000
            4   C1y C    14.1849  -18.9000
            5   C1x C    14.1849  -17.5000
            6   C1x C    12.9724  -16.8000
            7   C1b C    15.4160  -19.6110
            8   C1b C    16.6212  -18.9153
            9   N1b N    17.8035  -19.5981
            10  C1b C    18.9975  -18.9088
            11  C8y C    20.1854  -19.5948
            12  C8x C    20.1854  -20.9998
            13  C8y C    21.3978  -21.6998
            14  C8y C    22.6103  -20.9998
            15  C8x C    22.6103  -19.5948
            16  C8x C    21.3979  -18.8948
            17  X   F    21.3978  -23.0998
            18  O2a O    23.8226  -21.6998
            19  C8y C    25.0179  -21.0095
            20  C8x C    26.2053  -21.6950
            21  C8x C    27.4177  -20.9950
            22  C8y C    27.4177  -19.5950
            23  C8x C    26.2303  -18.9095
            24  N5x N    25.0179  -19.6095
            25  C5a C    28.6445  -18.8865
            26  N1a N    29.8519  -19.5834
            27  O5a O    28.6442  -17.5001
BOND        29
            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   13  17 1
            19   14  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   25  26 1
            29   25  27 2

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