| Entry |
|
|---|
| Name |
Ziritaxestat (USAN/INN) |
|---|
| Formula |
C30H33FN8O2S
|
|---|
| Exact mass |
588.2431
|
|---|
| Mol weight |
588.70
|
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| Structure |
|
|---|
| Efficacy |
Antineoplastic, Fibrotic diseases treatment, Autotaxin inhibitor |
|---|
| Comment |
Treatment of fibrotic diseases such as idiopathic pulmonary fibrosis and systemic sclerosis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
ENPP2 (ATX)
D11844 Ziritaxestat (USAN/INN)
|
|---|
| Other DBs |
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| LinkDB |
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|---|
| KCF data |
ATOM 42
1 N4y N 20.5100 -17.0800
2 C8y C 20.5100 -15.6800
3 C8y C 19.3200 -14.9800
4 C8x C 18.0600 -15.6800
5 C8y C 18.0600 -17.0800
6 C8x C 19.3200 -17.7800
7 C8y C 21.8400 -17.5000
8 C8y C 22.6800 -16.3800
9 N5x N 21.8400 -15.2600
10 N1c N 22.2600 -18.8300
11 C8y C 23.6600 -19.1100
12 C1a C 21.3500 -19.8800
13 S2x S 24.2200 -20.3700
14 C8y C 25.6200 -20.2300
15 C8y C 25.9000 -18.9000
16 N5x N 24.6400 -18.2000
17 C3b C 26.5300 -21.2800
18 C8y C 27.1600 -18.3400
19 C8x C 28.3500 -19.0400
20 C8x C 29.6100 -18.3400
21 C8y C 29.6100 -16.9400
22 C8x C 28.4200 -16.2400
23 C8x C 27.1600 -16.9400
24 X F 30.8000 -16.2400
25 N3a N 27.5100 -22.2600
26 C1b C 24.0800 -16.3800
27 C1a C 24.7800 -15.1900
28 N1y N 16.8700 -17.7800
29 C1a C 19.3200 -13.5800
30 C1x C 15.6800 -17.0800
31 C1x C 14.4200 -17.7800
32 N1y N 14.4200 -19.1800
33 C1x C 15.6100 -19.8800
34 C1x C 16.8700 -19.1800
35 C1b C 13.2300 -19.8800
36 C5a C 12.0400 -19.1800
37 N1y N 10.8500 -19.8800
38 O5a O 12.0400 -17.7800
39 C1x C 9.5200 -19.5300
40 C1y C 9.1700 -20.8600
41 C1x C 10.5000 -21.2100
42 O1a O 7.9800 -21.5600
BOND 47
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 1 7 1
8 7 8 2
9 8 9 1
10 2 9 2
11 7 10 1
12 10 11 1
13 10 12 1
14 11 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 11 16 2
19 14 17 1
20 15 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 18 23 1
27 21 24 1
28 17 25 3
29 8 26 1
30 26 27 1
31 5 28 1
32 3 29 1
33 28 30 1
34 30 31 1
35 31 32 1
36 32 33 1
37 33 34 1
38 28 34 1
39 32 35 1
40 35 36 1
41 36 37 1
42 36 38 2
43 37 39 1
44 39 40 1
45 40 41 1
46 37 41 1
47 40 42 1
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