KEGG   DRUG: Quingestanol acetateHelp
Entry
D05679                      Drug                                   

Name
Quingestanol acetate (USAN)
Formula
C27H36O3
Exact mass
408.2664
Mol weight
408.5729
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01666  Progesterone receptor agonist
 DG02004  Progesterone
Remark
ATC code: G03AC04
Efficacy
Contraceptive, Progesterone receptor agonist
Comment
Progestin
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
    G03AC Progestogens
     G03AC04 Quingestanol
      D05679  Quingestanol acetate (USAN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D05679  Quingestanol acetate (USAN)
BRITE hierarchy
Other DBs
CAS: 3000-39-3
PubChem: 47207340
ChEMBL: CHEMBL2105291
LigandBox: D05679
NIKKAJI: J7.660K
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1x C    24.3378  -23.1015
            2   C2y C    24.3378  -24.4595
            3   C2x C    25.5139  -25.1385
            4   C2y C    26.6901  -24.4595
            5   C1y C    26.6901  -23.1015
            6   C1x C    25.5139  -22.4224
            7   C2x C    27.8661  -25.1385
            8   C1x C    29.0423  -24.4595
            9   C1y C    29.0423  -23.1015
            10  C1y C    27.8661  -22.4224
            11  C1y C    30.2185  -22.4224
            12  C1z C    30.2185  -21.0643
            13  C1x C    29.0423  -20.3853
            14  C1x C    27.8661  -21.0643
            15  O2a O    23.1617  -25.1385
            16  C1a C    30.2185  -19.7063
            17  C1y C    21.9795  -24.4562
            18  C1x C    21.9795  -23.0812
            19  C1x C    20.6718  -22.6564
            20  C1x C    19.8636  -23.7687
            21  C1x C    20.6718  -24.8811
            22  C1x C    32.6000  -22.4224
            23  C1x C    32.6000  -21.0643
            24  C1z C    31.5101  -20.6447
            25  C3b C    32.8219  -20.2931
            26  C3a C    34.1337  -19.9417
            27  O7a O    31.5101  -18.6075
            28  C7a C    32.6643  -17.9412
            29  C1a C    33.8428  -18.6220
            30  O6a O    32.6645  -16.5714
BOND        34
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    2  15 1
            18   12  16 1 #Up
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   17  21 1
            25   11  22 1
            26   22  23 1
            27   24  25 1 #Down
            28   25  26 3
            29   24  27 1 #Up
            30   23  24 1
            31   12  24 1
            32   27  28 1
            33   28  29 1
            34   28  30 2

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