KEGG   DRUG: Linzagolix
Entry
D11608                      Drug                                   
Name
Linzagolix (USAN/INN)
Formula
C22H15F3N2O7S
Exact mass
508.0552
Mol weight
508.43
Structure
Remark
ATC code: H01CC04
Chemical structure group: DG03061
Efficacy
Anti-endometriosis, Gonadotropin-releasing hormone receptor antagonist
Comment
Treatment of endometriosis pain and uterine myoma-associated heavy menstrual bleeding
Target
GNRHR [HSA:2798] [KO:K04280]
  Pathway
hsa04912  GnRH signaling pathway
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H01 PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
   H01C HYPOTHALAMIC HORMONES
    H01CC Anti-gonadotropin-releasing hormones
     H01CC04 Linzagolix
      D11608  Linzagolix (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Gonadotropin-releasing hormone
    GNRHR
     D11608  Linzagolix (USAN/INN)
Other DBs
CAS: 935283-04-8
PubChem: 405226475
LinkDB
KCF data

ATOM        35
            1   C8y C     8.4700  -16.7300
            2   C8x C     8.4700  -18.1300
            3   C8x C     9.6600  -18.8300
            4   C8y C    10.9200  -18.1300
            5   C8y C    10.9200  -16.7300
            6   C8y C     9.6600  -16.0300
            7   X   F     9.6600  -14.6300
            8   X   F     7.2800  -16.0300
            9   C1b C    12.1100  -16.0300
            10  O2a O    13.3000  -16.7300
            11  O2a O    12.1100  -18.8300
            12  C1a C    13.3000  -18.1300
            13  C8y C    14.4900  -16.0300
            14  C8x C    15.6800  -16.7300
            15  C8y C    16.9400  -16.0300
            16  C8y C    16.9400  -14.6300
            17  C8x C    15.7500  -13.9300
            18  C8y C    14.4900  -14.6300
            19  O2a O    13.3000  -13.9300
            20  C1a C    12.1100  -14.6300
            21  X   F    18.1300  -13.9300
            22  N4y N    18.1300  -16.7300
            23  C8y C    18.1300  -18.1300
            24  N4x N    19.3900  -18.8300
            25  C8y C    20.5800  -18.1300
            26  C8y C    20.5800  -16.7300
            27  C8y C    19.3900  -16.0300
            28  O5x O    16.9400  -18.8300
            29  C8x C    21.9100  -18.5500
            30  S2x S    22.7500  -17.4300
            31  C8y C    21.9100  -16.3100
            32  C6a C    22.3300  -14.9800
            33  O6a O    23.7300  -14.7000
            34  O6a O    21.4200  -13.9300
            35  O5x O    19.3900  -14.6300
BOND        38
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     1   8 1
            9     5   9 1
            10    9  10 1
            11    4  11 1
            12   11  12 1
            13   10  13 1
            14   13  14 2
            15   14  15 1
            16   15  16 2
            17   16  17 1
            18   17  18 2
            19   13  18 1
            20   18  19 1
            21   19  20 1
            22   16  21 1
            23   15  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   22  27 1
            30   23  28 2
            31   25  29 2
            32   29  30 1
            33   30  31 1
            34   26  31 2
            35   31  32 1
            36   32  33 2
            37   32  34 1
            38   27  35 2

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