KEGG   DRUG: Relacorilant
Entry
D11336                      Drug                                   

Name
Relacorilant (USAN)
Formula
C27H22F4N6O3S
Exact mass
586.141
Mol weight
586.5606
Structure
Efficacy
Antineoplastic, Glucocorticoid receptor antagonist
Comment
Treatment of Cushing's syndrome and oncologic indications (in combination with appropriate chemotherapy)
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D11336  Relacorilant (USAN)
Other DBs
CAS: 1496510-51-0
PubChem: 384585314
ChEMBL: CHEMBL4068611
LinkDB
KCF data

ATOM        41
            1   C8y C    12.5300  -16.3800
            2   C8y C    12.5300  -17.7800
            3   C2x C    13.7200  -18.4800
            4   C2y C    14.9800  -17.7800
            5   C1z C    14.9800  -16.3800
            6   C1x C    13.7200  -15.6800
            7   C1x C    16.1700  -18.4800
            8   C1x C    17.3600  -17.7800
            9   N1y N    17.3600  -16.3800
            10  C1x C    16.1700  -15.6800
            11  C5a C    14.9800  -14.9800
            12  O5a O    16.1700  -14.2800
            13  C8y C    13.7900  -14.2800
            14  C8x C    13.7900  -12.8800
            15  C8y C    12.5300  -12.1800
            16  C8x C    11.3400  -12.8800
            17  C8x C    11.3400  -14.2800
            18  N5x N    12.5300  -14.9800
            19  S4a S    18.5500  -15.6800
            20  C8y C    19.7400  -16.3800
            21  C8x C    19.7400  -17.7800
            22  N5x N    21.0000  -18.2700
            23  N4y N    21.9100  -17.1500
            24  C8x C    21.1400  -16.0300
            25  O3c O    19.6000  -14.7000
            26  O3c O    17.8500  -14.4900
            27  C1a C    23.3100  -17.1500
            28  C1d C    12.5128  -10.7801
            29  X   F    11.1128  -10.7801
            30  X   F    13.9128  -10.7801
            31  X   F    12.5128   -9.3801
            32  C8x C    11.1985  -15.9474
            33  N5x N    10.3756  -17.0800
            34  N4y N    11.1985  -18.2126
            35  C8y C    10.7697  -19.5322
            36  C8x C     9.4106  -19.8211
            37  C8x C     8.9780  -21.1526
            38  C8y C     9.9147  -22.1930
            39  C8x C    11.2738  -21.9041
            40  C8x C    11.7065  -20.5727
            41  X   F     9.4856  -23.5142
BOND        46
            1     1   2 2
            2     2   3 1
            3     3   4 2
            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    5  10 1
            12    5  11 1 #Up
            13   11  12 2
            14   11  13 1
            15   13  14 2
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   13  18 1
            21    9  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 1
            27   20  24 2
            28   19  25 2
            29   19  26 2
            30   23  27 1
            31   15  28 1
            32   28  29 1
            33   28  30 1
            34   28  31 1
            35    1  32 1
            36   32  33 2
            37   33  34 1
            38    2  34 1
            39   34  35 1
            40   35  36 2
            41   36  37 1
            42   37  38 2
            43   38  39 1
            44   39  40 2
            45   35  40 1
            46   38  41 1

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