KEGG   DRUG: OpigolixHelp
Entry
D11351                      Drug                                   

Name
Opigolix (USAN/INN)
Formula
C25H19F3N4O5S
Exact mass
544.1028
Mol weight
544.5024
Structure
Mol fileKCF fileDB search
Efficacy
Anti-endometriosis, Gonadotropin-releasing hormone receptor antagonist
Comment
Treatment of endometriosis
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04912  GnRH signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D11351  Opigolix (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 912587-25-8
PubChem: 384585329
ChEMBL: CHEMBL3989969
KCF data Show

ATOM        38
            1   C5a C    16.4500  -20.9300
            2   C2c C    17.6624  -21.6300
            3   C5a C    18.8579  -20.9396
            4   O5a O    15.2376  -21.6300
            5   C8y C    16.4500  -19.5300
            6   C8x C    17.6624  -18.8300
            7   C8y C    17.6624  -17.4300
            8   C8x C    16.4500  -16.7300
            9   C8x C    15.2376  -17.4300
            10  C8y C    15.2376  -18.8300
            11  X   F    18.8579  -16.7396
            12  X   F    14.0421  -19.5204
            13  C8y C    17.6625  -23.0298
            14  C8y C    20.0453  -21.6251
            15  O5a O    18.8580  -19.5303
            16  C8x C    20.0454  -23.0298
            17  C8x C    21.2579  -23.7297
            18  C8y C    22.4703  -23.0296
            19  C8y C    22.4701  -21.6249
            20  C8x C    21.2576  -20.9250
            21  X   F    23.6828  -23.7294
            22  S4a S    23.6802  -20.9261
            23  N1b N    24.8791  -21.6183
            24  C2c C    26.0646  -20.9338
            25  C1c C    27.2569  -21.6222
            26  N2a N    26.0647  -19.5302
            27  C1a C    28.4458  -20.9358
            28  O1a O    27.2570  -23.0297
            29  O3c O    24.3802  -19.7137
            30  O3c O    22.6902  -19.9362
            31  N4x N    16.5153  -23.8636
            32  C8y C    16.9538  -25.2124
            33  C8y C    18.3720  -25.2122
            34  N4x N    18.8101  -23.8633
            35  C8x C    16.2540  -26.4250
            36  C8x C    16.9542  -27.6373
            37  C8x C    18.3724  -27.6371
            38  C8x C    19.0722  -26.4245
BOND        41
            1     1   2 1
            2     2   3 1
            3     1   4 2
            4     1   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10    5  10 1
            11    7  11 1
            12   10  12 1
            13    2  13 2
            14    3  14 1
            15    3  15 2
            16   14  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   14  20 1
            22   18  21 1
            23   19  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   24  26 2
            28   25  27 1
            29   25  28 1 #Up
            30   22  29 2
            31   22  30 2
            32   13  31 1
            33   31  32 1
            34   32  33 1
            35   33  34 1
            36   13  34 1
            37   32  35 2
            38   35  36 1
            39   36  37 2
            40   37  38 1
            41   33  38 2

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