KEGG   DRUG: D03025Help
Entry
D03025                      Drug                                   

Name
Azalanstat dihydrochloride (USAN)
Formula
C22H24ClN3O2S. 2HCl
Exact mass
501.0811
Mol weight
502.8847
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Hypolipidemic
Target
sterol 14alpha-demethylase ihibitor [KO:K05917]
  Pathway
ko00100  Steroid biosynthesis  
 
Other DBs
CAS: 
143484-82-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        31
            1   C1b C    22.7933  -20.8316
            2   C8y C    21.5779  -21.5362
            3   C1b C    24.0087  -21.5362
            4   C8x C    21.5779  -22.9394
            5   C8x C    20.3625  -20.8316
            6   C1z C    25.2240  -20.8374
            7   C8x C    20.3625  -23.6439
            8   C8x C    19.1471  -21.5362
            9   C1b C    26.4394  -21.5362
            10  C8y C    19.1471  -22.9394
            11  X   Cl   17.9260  -23.6439
            12  N4y N    27.6586  -20.8392
            13  O2x O    26.3484  -20.0000
            14  C1y C    25.8966  -18.6701
            15  C1x C    24.4923  -18.6890
            16  O2x O    24.0763  -20.0305
            17  C1b C    26.7036  -17.5275
            18  S2a S    28.1036  -17.5275
            19  C8y C    28.8071  -16.3098
            20  C8x C    30.2400  -16.3102
            21  C8x C    30.9404  -15.0980
            22  C8y C    30.2407  -13.8853
            23  C8x C    28.8079  -13.8849
            24  C8x C    28.1075  -15.0971
            25  N1a N    30.9520  -12.6546
            26  C8x C    28.9901  -21.2756
            27  C8x C    29.8158  -20.1450
            28  N5x N    28.9958  -19.0104
            29  C8x C    27.6632  -19.4397
            30  X   Cl   33.3020  -19.9888
            31  X   Cl   33.3020  -19.9888
BOND        32
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 2
            5     4   7 2
            6     5   8 1
            7     7  10 1
            8    10  11 1
            9     8  10 2
            10    6   3 1 #Down
            11    6   9 1 #Up
            12    9  12 1
            13    6  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17    6  16 1
            18   14  17 1 #Up
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   12  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   12  29 1
BRACKET     1    31.5700  -20.7900   31.5700  -19.1100
            1    34.1600  -19.1100   34.1600  -20.7900
            1  2
 ORIGINAL  1   30
 REPEAT    1   31

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