KEGG   DRUG: Atrasentan hydrochloride
Entry
D03009                      Drug                                   
Name
Atrasentan hydrochloride (USAN)
Formula
C29H38N2O6. HCl
Exact mass
546.2497
Mol weight
547.0828
Structure
Class
Cardiovascular agent
 DG01502  Endothelin receptor antagonist
Efficacy
Antineoplastic, Endothelin receptor type A antagonist
Comment
Palliative treatment of bone pain due to metastatic prostate cancer and disease progression
Target
EDNRA [HSA:1909] [KO:K04197]
Interaction
Brite
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01502  Endothelin receptor antagonist
   D03009  Atrasentan hydrochloride
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Endothelin
    EDNRA
     D03009  Atrasentan hydrochloride (USAN)
Other DBs
CAS: 195733-43-8
PubChem: 17397165
LigandBox: D03009
LinkDB
KCF data

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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