KEGG   DRUG: Ulipristal acetateHelp
Entry
D09687                      Drug                                   

Name
Ulipristal acetate (JAN/USAN);
Ella (TN)
Product
Formula
C30H37NO4
Exact mass
475.2723
Mol weight
475.6191
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: G03AD02 G03XB02
Chemical structure group: DG00459
Product (DG00459): D09687<US>
Efficacy
Contraceptive, Progesterone receptor agonist/antagonist
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
hsa04915  Estrogen signaling pathway
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03A HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
    G03AD Emergency contraceptives
     G03AD02 Ulipristal
      D09687  Ulipristal acetate (JAN/USAN) <US>
   G03X OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
    G03XB Progesterone receptor modulators
     G03XB02 Ulipristal
      D09687  Ulipristal acetate (JAN/USAN) <US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Progesterone Agonists/Antagonists
   Ulipristal
    D09687  Ulipristal acetate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D09687  Ulipristal acetate (JAN/USAN) <US>
Drug classes of therapeutic agents [br08360.html]
 Endocrine and hormonal agents
  D09687
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D09687
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09687
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09687
BRITE hierarchy
Other DBs
CAS: 126784-99-4
PubChem: 124490427
ChEBI: 71025
ChEMBL: CHEMBL260538
PDB-CCD: 2S0[PDBj]
LigandBox: D09687
LinkDB All DBs
KCF data Show

ATOM        35
            1   C1y C    18.0041  -16.1850
            2   C2y C    18.0041  -17.5858
            3   C1y C    19.1948  -18.2862
            4   C1y C    20.3855  -17.5858
            5   C1z C    20.3855  -16.1850
            6   C1x C    19.1948  -15.5546
            7   C2y C    16.8134  -18.2862
            8   C2y C    16.8134  -19.6170
            9   C1x C    18.0041  -20.3174
            10  C1x C    19.1948  -19.6170
            11  C1x C    15.6227  -17.5858
            12  C1x C    14.4320  -18.2862
            13  C5x C    14.4320  -19.6170
            14  C2x C    15.6227  -20.3174
            15  O5x O    13.2413  -20.3174
            16  C1x C    22.7669  -17.5858
            17  C1x C    22.7669  -16.1850
            18  C1z C    21.5762  -15.5546
            19  C8y C    16.8134  -15.5546
            20  C8x C    16.8134  -14.1538
            21  C8x C    15.6227  -13.4534
            22  C8y C    14.4320  -14.1538
            23  C8x C    14.4320  -15.5546
            24  C8x C    15.6227  -16.1850
            25  C1a C    20.3855  -14.8542
            26  C5a C    21.5762  -14.1538
            27  C1a C    22.7669  -13.4534
            28  O5a O    20.3855  -13.4534
            29  O7a O    22.7669  -14.8542
            30  N1c N    13.2413  -13.4534
            31  C1a C    12.0506  -14.1538
            32  C1a C    13.2413  -12.0526
            33  C7a C    23.9857  -15.5447
            34  C1a C    25.1678  -14.8492
            35  O6a O    23.9857  -16.9456
BOND        39
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    3  10 1
            12    7  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    8  14 2
            17   13  15 2
            18    4  16 1
            19   16  17 1
            20   17  18 1
            21    5  18 1
            22    1  19 1 #Up
            23   19  20 2
            24   20  21 1
            25   21  22 2
            26   22  23 1
            27   23  24 2
            28   19  24 1
            29    5  25 1 #Up
            30   18  26 1 #Up
            31   26  27 1
            32   26  28 2
            33   18  29 1 #Down
            34   22  30 1
            35   30  31 1
            36   30  32 1
            37   29  33 1
            38   33  34 1
            39   33  35 2

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