KEGG   DRUG: D03009Help
Entry
D03009                      Drug                                   

Name
Atrasentan hydrochloride (USAN)
Formula
C29H38N2O6. HCl
Exact mass
546.2497
Mol weight
547.0828
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Palliative treatment of bone pain due to metastatic prostate cancer and disease progression [endothelin (ETA) receptor antagonist]
Remark
Drug group: 
Target
endothelin receptor type A antagonist [HSA:1909] [KO:K04197]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction  
 
Metabolism
Transporter: SLCO1B1 [HSA:10599]
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Endothelin
    endothelin receptor type A
     Atrasentan
      D03009  Atrasentan hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
195733-43-8
PubChem: 
LigandBox: 
KCF data Show

ATOM        38
            1   C1y C    26.0400  -21.0700
            2   C1x C    26.0400  -19.6700
            3   C8y C    22.4000  -21.7700
            4   C8y C    22.4000  -23.1700
            5   C8x C    23.5900  -23.8700
            6   C8x C    24.8500  -23.1700
            7   C8y C    24.8500  -21.7700
            8   C8x C    23.5900  -21.0700
            9   O2x O    21.0700  -21.3500
            10  C1x C    20.2300  -22.4700
            11  O2x O    21.0700  -23.5900
            12  C1y C    27.3700  -21.4900
            13  C1y C    28.2100  -20.3700
            14  N1y N    27.3700  -19.2500
            15  C6a C    27.7900  -22.8200
            16  C8y C    29.6100  -20.3700
            17  O6a O    29.1900  -22.8200
            18  O6a O    26.9500  -23.9400
            19  C8x C    30.3100  -21.5600
            20  C8x C    31.7100  -21.5600
            21  C8y C    32.4100  -20.3700
            22  C8x C    31.7100  -19.1800
            23  C8x C    30.3100  -19.1800
            24  O2a O    33.8100  -20.3700
            25  C1a C    34.5100  -21.5600
            26  C1b C    27.3700  -17.8500
            27  C5a C    26.1576  -17.1500
            28  N1c N    24.9621  -17.8404
            29  O5a O    26.1575  -15.7502
            30  C1b C    23.7747  -17.1549
            31  C1b C    24.9620  -19.2497
            32  C1b C    23.7706  -19.9378
            33  C1b C    22.5855  -19.2536
            34  C1a C    21.3931  -19.9423
            35  C1b C    22.5835  -17.8429
            36  C1b C    21.3940  -17.1562
            37  C1a C    20.2039  -17.8435
            38  X   Cl   32.7600  -24.3600
BOND        40
            1     1   2 1
            2     3   4 2
            3     4   5 1
            4     5   6 2
            5     6   7 1
            6     7   8 2
            7     3   8 1
            8     3   9 1
            9     9  10 1
            10   10  11 1
            11    4  11 1
            12    1   7 1 #Up
            13    1  12 1
            14   12  13 1
            15   13  14 1
            16    2  14 1
            17   12  15 1 #Down
            18   13  16 1 #Up
            19   15  17 1
            20   15  18 2
            21   16  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   16  23 1
            27   21  24 1
            28   24  25 1
            29   14  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 1
            34   28  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   30  35 1
            39   35  36 1
            40   36  37 1

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