| Entry |
|
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| Name |
Cindunistat hydrochloride maleate (USAN) |
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| Formula |
(C8H17N3O2S)2. C4H4O4. HCl
|
|---|
| Exact mass |
590.1959
|
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| Mol weight |
591.1421
|
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| Structure |
|
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| Remark |
|
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| Efficacy |
Anti-inflammatory, Inducible nitric oxide synthase inhibitor |
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| Comment |
Inducible nitric oxide synthase inhibitor
Disease modifying osteoarthritis drug
|
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| Target |
|
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| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Nitic oxide synthase
NOS2
D10419 Cindunistat hydrochloride maleate (USAN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 37
1 C1a C 13.4400 -15.8900
2 C2c C 14.5600 -15.1900
3 N1b N 15.7500 -15.8900
4 C1b C 16.9400 -15.1900
5 C1b C 18.1300 -15.8900
6 S2a S 19.3200 -15.1900
7 C1b C 20.5100 -15.8900
8 C1d C 21.7000 -15.1900
9 C6a C 22.8900 -15.8900
10 O6a O 24.0800 -15.1900
11 N2a N 14.5600 -13.8600
12 N1a N 22.8900 -14.1400
13 C1a C 20.5100 -14.2100
14 O6a O 22.8900 -17.2900
15 C2b C 33.4600 -15.9600
16 C2b C 31.8500 -15.9600
17 C6a C 34.1600 -17.1500
18 C6a C 31.1500 -17.1500
19 O6a O 33.4600 -18.3400
20 O6a O 35.4900 -17.1500
21 O6a O 29.8200 -17.1500
22 O6a O 31.8500 -18.3400
23 X Cl 32.6200 -12.3900
24 C1a C 13.4400 -15.8900
25 C2c C 14.5600 -15.1900
26 N1b N 15.7500 -15.8900
27 C1b C 16.9400 -15.1900
28 C1b C 18.1300 -15.8900
29 S2a S 19.3200 -15.1900
30 C1b C 20.5100 -15.8900
31 C1d C 21.7000 -15.1900
32 C6a C 22.8900 -15.8900
33 O6a O 24.0800 -15.1900
34 O6a O 22.8900 -17.2900
35 N1a N 22.8900 -14.1400
36 C1a C 20.5100 -14.2100
37 N2a N 14.5600 -13.8600
BOND 33
1 15 16 2
2 15 17 1
3 16 18 1
4 17 19 1
5 17 20 2
6 18 21 1
7 18 22 2
8 1 2 1
9 2 3 1
10 3 4 1
11 4 5 1
12 5 6 1
13 6 7 1
14 7 8 1
15 8 9 1
16 9 10 1
17 2 11 2
18 8 12 1 #Down
19 8 13 1 #Up
20 9 14 2
21 24 25 1
22 25 26 1
23 26 27 1
24 27 28 1
25 28 29 1
26 29 30 1
27 30 31 1
28 31 32 1
29 32 33 1
30 25 37 2
31 31 35 1 #Down
32 31 36 1 #Up
33 32 34 2
BRACKET 1 11.8300 -18.7600 11.8300 -10.0800
1 26.2500 -10.0800 26.2500 -18.7600
1 2
ORIGINAL 1 1 2 3 4 5 6 7 8 9 10 14 12 13 11
REPEAT 1 24 25 26 27 28 29 30 31 32 33 34 35 36 37
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