KEGG   DRUG: Giredestrant
Entry
D11961                      Drug                                   
Name
Giredestrant (USAN/INN)
Formula
C27H31F5N4O
Exact mass
522.2418
Mol weight
522.55
Structure
Class
Hormonal agent
 DG01619  Estrogen receptor antagonist/modulator
  DG01621  Selective estrogen receptor modulator
Remark
Chemical structure group: DG03318
Efficacy
Antineoplastic, Selective estrogen receptor degrader
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550]
  Pathway
hsa04915  Estrogen signaling pathway
hsa04917  Prolactin signaling pathway
hsa05200  Pathways in cancer
Brite
Drug groups [BR:br08330]
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG01621  Selective estrogen receptor modulator
    DG03318  Giredestrant
     D11961  Giredestrant
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D11961  Giredestrant (USAN/INN)
Drug groups [BR:br08330]
 Hormonal agent
  DG01619  Estrogen receptor antagonist/modulator
   DG01621  Selective estrogen receptor modulator
    DG03318  Giredestrant
Other DBs
CAS: 1953133-47-5
PubChem: 497620374
PDB-CCD: ZNM[PDBj]
LinkDB
KCF data

ATOM        37
            1   C8y C    16.4500  -14.2100
            2   C8y C    16.4500  -15.6100
            3   C8y C    17.6624  -16.3100
            4   C8x C    18.8749  -15.6100
            5   C8y C    18.8749  -14.2100
            6   C8x C    17.6624  -13.5100
            7   C1y C    15.2376  -16.3100
            8   C8y C    14.0421  -15.6196
            9   C8y C    12.8296  -16.3195
            10  C1x C    12.8294  -17.7195
            11  C1y C    14.0249  -18.4099
            12  N1y N    15.2374  -17.7100
            13  N4x N    13.7511  -14.2502
            14  C8y C    12.3588  -14.1037
            15  C8y C    11.7893  -15.3826
            16  C8x C    11.5360  -12.9709
            17  C8x C    10.1437  -13.1171
            18  C8x C     9.5741  -14.3960
            19  C8x C    10.3969  -15.5287
            20  C1a C    14.0247  -19.8098
            21  C1b C    16.4666  -18.4200
            22  C1d C    16.4666  -19.8200
            23  X   F    17.8666  -19.8200
            24  X   F    15.0666  -19.8200
            25  C1b C    16.4666  -21.2200
            26  O1a O    15.2462  -21.9248
            27  X   F    17.6624  -17.7098
            28  X   F    15.2376  -13.5100
            29  N1b N    20.1060  -13.4990
            30  C1y C    21.3112  -14.1947
            31  C1x C    21.6754  -15.5530
            32  N1y N    23.0337  -15.1888
            33  C1x C    22.6695  -13.8305
            34  C1b C    24.2440  -15.8873
            35  C1b C    25.4370  -15.1980
            36  C1b C    26.6258  -15.8841
            37  X   F    27.8161  -15.1964
BOND        41
            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     7   2 1 #Up
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14    8  13 1
            15   13  14 1
            16   14  15 1
            17    9  15 1
            18   14  16 2
            19   16  17 1
            20   17  18 2
            21   18  19 1
            22   15  19 2
            23   11  20 1 #Down
            24   12  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 1
            28   22  25 1
            29   25  26 1
            30    3  27 1
            31    1  28 1
            32    5  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   30  33 1
            38   32  34 1
            39   34  35 1
            40   35  36 1
            41   36  37 1

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