| Entry |
|
|---|
| Name |
Sivopixant (JAN/INN) |
|---|
| Formula |
C25H22ClN5O5
|
|---|
| Exact mass |
507.1309
|
|---|
| Mol weight |
507.92
|
|---|
| Structure |
|
|---|
| Class |
Respiratory system agent
DG03292 Purinergic receptor P2X 3 antagonist
|
|---|
| Efficacy |
Analgesic, P2X3 receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Respiratory system agent
DG03292 Purinergic receptor P2X 3 antagonist
D12355 Sivopixant
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
ATP-gated cation channel (P2X)
P2RX3
D12355 Sivopixant (JAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 36
1 C8y C 15.1200 -14.8400
2 C8x C 15.1200 -16.2400
3 C8x C 16.3324 -16.9400
4 C8y C 17.5449 -16.2400
5 C8x C 17.5449 -14.8400
6 C8x C 16.3324 -14.1400
7 N2b N 18.7760 -16.9510
8 C8y C 19.9812 -16.2553
9 N4y N 21.1635 -16.9381
10 C8y C 22.3760 -16.2383
11 N4y N 22.3762 -14.8383
12 C8y C 21.1938 -14.1555
13 N4x N 19.9813 -14.8553
14 C1b C 23.6056 -14.1284
15 C1c C 24.8113 -14.8245
16 C6a C 25.9935 -14.1419
17 O6a O 27.1874 -14.8314
18 O6a O 25.9936 -12.7402
19 C1a C 24.8116 -16.2396
20 O5x O 21.1938 -12.7401
21 O5x O 23.6070 -16.9493
22 C1b C 21.1634 -18.3398
23 C8y C 22.3582 -19.0299
24 C8x C 22.3582 -20.4397
25 C8x C 23.5707 -21.1397
26 C8y C 24.7831 -20.4397
27 C8x C 24.7831 -19.0299
28 C8x C 23.5707 -18.3299
29 X Cl 25.9933 -21.1385
30 O2a O 13.9076 -14.1400
31 C8y C 12.7121 -14.8304
32 N5x N 11.5247 -14.1449
33 C8x C 10.3123 -14.8450
34 C8x C 10.3124 -16.2450
35 C8x C 11.4997 -16.9304
36 C8x C 12.7121 -16.2304
BOND 39
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 8 13 1
15 11 14 1
16 14 15 1
17 15 16 1
18 16 17 1
19 16 18 2
20 15 19 1 #Up
21 12 20 2
22 10 21 2
23 9 22 1
24 22 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 23 28 1
31 26 29 1
32 1 30 1
33 30 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 34 35 1
38 35 36 2
39 31 36 1
|
|---|
