Entry |
|
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 |
|
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 |
|
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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