KEGG   DRUG: Ticabesone propionate
Entry
D06135                      Drug                                   

Name
Ticabesone propionate (USAN)
Formula
C25H32F2O5S
Exact mass
482.1939
Mol weight
482.5804
Structure
Simcomp
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D06135  Ticabesone propionate (USAN)
Other DBs
CAS: 73205-13-7
PubChem: 47207793
ChEMBL: CHEMBL2107058
LigandBox: D06135
LinkDB
KCF data

ATOM        33
            1   C1y C    32.1381  -18.9808
            2   C1z C    30.9764  -18.2964
            3   C1y C    33.2997  -18.3138
            4   C1x C    32.1381  -20.3266
            5   C1z C    29.8089  -18.9694
            6   C1y C    30.9879  -16.9565
            7   C1z C    33.3170  -16.9738
            8   C1x C    35.6289  -18.3426
            9   C1y C    30.9648  -20.9937
            10  C2y C    29.8032  -20.3151
            11  C2x C    28.6415  -18.2908
            12  C1x C    32.1612  -16.2894
            13  C1z C    34.4902  -16.3181
            14  C1y C    35.6460  -17.0025
            15  C2x C    28.6415  -20.9878
            16  C2x C    27.4684  -18.9694
            17  C5a C    35.7956  -15.2862
            18  O7a O    34.4959  -14.6159
            19  C5x C    27.4684  -20.3151
            20  O5x O    26.3067  -20.9878
            21  X   F    30.9534  -19.5846
            22  C1a C    29.8089  -17.5889
            23  C1a C    33.3170  -15.5932
            24  X   F    30.9567  -22.4207
            25  O1a O    29.7670  -16.2387
            26  O5a O    37.0193  -15.9313
            27  S2a S    35.7421  -13.8998
            28  C1a C    36.9476  -13.1400
            29  C7a C    33.3453  -13.8385
            30  C1b C    32.0808  -14.4541
            31  O6a O    33.3047  -12.4373
            32  C1a C    30.9199  -13.6699
            33  C1a C    37.0430  -17.0025
BOND        36
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14   10  15 2
            15   11  16 2
            16   13  17 1 #Up
            17   13  18 1 #Down
            18   15  19 1
            19   19  20 2
            20    7  12 1
            21    9  10 1
            22   13  14 1
            23   16  19 1
            24    2  21 1 #Down
            25    5  22 1 #Up
            26    7  23 1 #Up
            27    9  24 1 #Down
            28    6  25 1 #Up
            29   17  26 2
            30   17  27 1
            31   27  28 1
            32   18  29 1
            33   29  30 1
            34   29  31 2
            35   30  32 1
            36   14  33 1 #Down

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