KEGG   DRUG: TipredaneHelp
Entry
D06161                      Drug                                   

Name
Tipredane (USAN)
Formula
C22H31FO2S2
Exact mass
410.175
Mol weight
410.6087
Structure
Mol fileKCF fileDB search
Efficacy
Anti-inflammatory (topical)
Comment
Adrenocortical steroid
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)
     D06161  Tipredane (USAN)
BRITE hierarchy
Other DBs
CAS: 85197-77-9
PubChem: 47207819
ChEMBL: CHEMBL1908322
LigandBox: D06161
NIKKAJI: J352.513I
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    24.6394  -20.1178
            2   C1z C    23.4937  -19.4428
            3   C1y C    25.8549  -19.4599
            4   C1x C    24.6394  -21.4449
            5   C1z C    22.3424  -20.1065
            6   C1y C    23.5051  -18.1214
            7   C1z C    25.8020  -18.1385
            8   C1x C    28.0820  -19.4893
            9   C1x C    23.4823  -22.1028
            10  C2y C    22.3368  -21.4336
            11  C2x C    21.1911  -19.4373
            12  C1x C    24.6621  -17.4635
            13  C1z C    26.9590  -17.4919
            14  C1x C    28.0989  -18.1668
            15  C2x C    21.1911  -22.0970
            16  C2x C    20.0341  -20.1065
            17  S2a S    28.6597  -16.2675
            18  S2a S    26.9647  -15.8131
            19  C5x C    20.0341  -21.4336
            20  O5x O    18.8885  -22.0970
            21  C1a C    22.3424  -18.7450
            22  C1a C    25.8020  -16.7770
            23  O1a O    22.3010  -17.4135
            24  C1a C    25.7827  -15.1250
            25  C1b C    29.8665  -16.9037
            26  C1a C    31.0442  -16.1620
            27  X   F    23.4937  -20.8205
BOND        30
            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 #Down
            17   13  18 1 #Up
            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    5  21 1 #Up
            25    7  22 1 #Up
            26    6  23 1 #Up
            27   18  24 1
            28   17  25 1
            29   25  26 1
            30    2  27 1 #Down

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