KEGG   DRUG: Opevesostat tosylate
Entry
D13111                      Drug                                   
Name
Opevesostat tosylate (USAN)
Formula
C21H26N2O5S. C7H8O3S
Exact mass
590.1757
Mol weight
590.71
Structure
Remark
Chemical structure group: DG03343
Efficacy
Antineoplastic, Androgen biosynthesis inhibitor
Target
CYP11A1 [HSA:1583] [KO:K00498]
  Pathway
hsa00140  Steroid hormone biosynthesis
hsa04925  Aldosterone synthesis and secretion
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Cytochrome P450
    CYP11A1
     D13111  Opevesostat tosylate (USAN)
Other DBs
CAS: 2832831-08-8
PubChem: 508750781
LinkDB
KCF data

ATOM        40
            1   C8y C    16.3657  -13.5681
            2   C8x C    16.3657  -14.9669
            3   C8y C    17.5546  -15.6663
            4   C8y C    18.8135  -14.9669
            5   C8x C    18.8135  -13.5681
            6   O2x O    17.5546  -12.8687
            7   O5x O    17.5546  -17.0651
            8   C1b C    15.1767  -12.8687
            9   N1y N    13.9178  -13.5681
            10  C1x C    12.6589  -13.1485
            11  C8y C    11.8197  -14.3375
            12  C8y C    12.7289  -15.3865
            13  C1x C    13.9878  -14.9669
            14  C8x C    10.4908  -14.4773
            15  C8x C     9.9313  -15.8062
            16  C8x C    10.7706  -16.9252
            17  C8x C    12.1694  -16.7154
            18  O2a O    20.0025  -15.6663
            19  C1b C    21.2614  -14.9669
            20  C1y C    22.4504  -15.6663
            21  C1x C    22.4504  -17.0651
            22  C1x C    23.6393  -17.7645
            23  N1y N    24.8982  -17.0651
            24  C1x C    24.8982  -15.6663
            25  C1x C    23.6393  -14.9669
            26  S4a S    26.0872  -17.7645
            27  C1a C    27.2761  -18.4638
            28  O1d O    25.3878  -19.0234
            29  O1d O    26.7866  -16.5755
            30  C8x C    30.4500  -16.0300
            31  C8x C    30.4500  -17.4300
            32  C8y C    31.6624  -18.1300
            33  C8x C    32.8749  -17.4300
            34  C8x C    32.8749  -16.0300
            35  C8y C    31.6624  -15.3300
            36  S4a S    31.6624  -13.9302
            37  O1d O    31.6624  -12.5302
            38  O1d O    30.2624  -13.9302
            39  O1d O    33.0624  -13.9302
            40  C1a C    31.6624  -19.5298
BOND        43
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 1
            7     3   7 2
            8     1   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    9  13 1
            15   11  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   12  17 2
            20    4  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27   24  25 1
            28   20  25 1
            29   23  26 1
            30   26  27 1
            31   26  28 2
            32   26  29 2
            33   30  31 2
            34   31  32 1
            35   32  33 2
            36   33  34 1
            37   34  35 2
            38   30  35 1
            39   35  36 1
            40   36  37 1
            41   36  38 2
            42   36  39 2
            43   32  40 1

» Japanese version   » Back

DBGET integrated database retrieval system