Entry |
|
Name |
Tazifylline hydrochloride (USAN) |
Formula |
C23H32N6O3S. 2HCl
|
Exact mass |
544.179
|
Mol weight |
545.5255
|
Structure |
|
Class |
Respiratory system agent
DG01616 Xanthine derivative
DG01609 Xanthine-type bronchodilator
|
Efficacy |
Antihistaminic, H1 receptor antagonist |
Comment |
Xanthine derivative
|
Target |
|
Pathway |
hsa04080 | Neuroactive ligand-receptor interaction |
hsa04750 | Inflammatory mediator regulation of TRP channels |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Respiratory system agent
DG01616 Xanthine derivative
DG01609 Xanthine-type bronchodilator
D06012 Tazifylline hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Histamine
HRH1
D06012 Tazifylline hydrochloride (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 35
1 C8y C 38.0800 -22.7500
2 N4y N 38.0800 -21.3500
3 C8y C 36.8200 -20.6500
4 C8y C 35.6300 -21.3500
5 C8y C 35.6300 -22.7500
6 N4y N 36.8200 -23.4500
7 N4y N 34.3000 -20.9300
8 C8x C 33.4600 -22.0500
9 N5x N 34.3000 -23.2400
10 O5x O 39.2700 -23.4500
11 O5x O 36.8200 -19.2500
12 C1a C 36.8200 -24.9200
13 C1a C 39.2700 -20.6500
14 C1b C 34.3000 -19.5300
15 C1c C 33.0400 -18.8300
16 C1b C 31.8500 -19.5300
17 O1a O 33.0400 -17.4300
18 N1y N 30.6600 -18.8300
19 C1x C 30.6600 -17.4300
20 C1x C 29.4700 -16.7300
21 N1y N 28.2100 -17.4300
22 C1x C 28.2100 -18.8300
23 C1x C 29.4700 -19.5300
24 C1b C 27.0200 -16.7300
25 C1b C 25.8300 -17.4300
26 C1b C 24.7100 -16.7300
27 S2a S 23.5200 -17.4300
28 C8y C 22.3300 -16.7300
29 C8x C 22.3300 -15.3300
30 C8x C 21.0700 -14.6300
31 C8x C 19.8800 -15.3300
32 C8x C 19.8800 -16.7300
33 C8x C 21.0700 -17.4300
34 X Cl 27.5800 -23.1700
35 X Cl 27.5800 -23.1700
BOND 36
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 1 10 2
12 3 11 2
13 6 12 1
14 2 13 1
15 7 14 1
16 14 15 1
17 15 16 1
18 15 17 1
19 16 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 18 23 1
26 21 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 28 29 2
32 29 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 28 33 1
BRACKET 1 25.9700 -23.8000 25.9700 -22.1200
1 28.2800 -22.1200 28.2800 -23.8000
1 2
ORIGINAL 1 34
REPEAT 1 35
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