KEGG   DRUG: TiboloneHelp
Entry
D01639                      Drug                                   

Name
Tibolone (JAN/USAN/INN)
Formula
C21H28O2
Exact mass
312.2089
Mol weight
312.4458
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Other
 DG01584  Estrogen receptor agonist
 DG01986  Estrogen
Remark
ATC code: G03CX01
Efficacy
Replenisher (estrogen), Estrogen receptor agonist
Comment
selective estrogen receptor modulators (SERMs)
Menopausal symptoms suppressant
Target
NR3A1 (ESR1) [HSA:2099] [KO:K08550]
  Pathway
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
   G03C ESTROGENS
    G03CX Other estrogens
     G03CX01 Tibolone
      D01639  Tibolone (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   Estrogen receptor
    NR3A1 (ESR1)
     D01639  Tibolone (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 5630-53-5
PubChem: 7848702
ChEBI: 32223
ChEMBL: CHEMBL2103774
LigandBox: D01639
NIKKAJI: J8.033K
LinkDB All DBs
KCF data Show

ATOM        23
            1   C1x C    20.7987  -18.9648
            2   C5x C    20.7987  -20.3340
            3   C1x C    21.9874  -21.0187
            4   C1x C    21.9874  -18.2801
            5   C2y C    23.1691  -18.9648
            6   C2y C    23.1633  -20.3340
            7   C1x C    24.3462  -21.0236
            8   C1y C    25.5349  -20.3442
            9   C1y C    24.3580  -18.2853
            10  C1y C    25.5351  -18.9777
            11  C1x C    25.5575  -16.2465
            12  C1x C    24.3691  -16.9195
            13  C1z C    26.7320  -16.9461
            14  C1y C    26.7181  -18.3004
            15  C1x C    29.0641  -18.2546
            16  C1x C    29.0780  -16.9701
            17  C1z C    27.9119  -16.2809
            18  C1a C    26.7193  -21.0313
            19  C1a C    26.7184  -15.5761
            20  O1a O    27.9010  -14.6255
            21  C3b C    29.0905  -15.5831
            22  C3a C    30.2730  -14.8915
            23  O5x O    19.6134  -21.0193
BOND        26
            1    11  12 1
            2    12   9 1
            3     2   3 1
            4     3   6 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8    13  14 1
            9    15  16 1
            10   16  17 1
            11   17  13 1
            12   14  15 1
            13    8  10 1
            14    8  18 1 #Down
            15    9   5 1
            16    5   4 1
            17    4   1 1
            18   13  19 1 #Up
            19   17  20 1 #Up
            20    1   2 1
            21   17  21 1 #Down
            22    9  10 1
            23   21  22 3
            24   10  14 1
            25    2  23 2
            26   13  11 1

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