| Entry |
|
|---|
| Name |
Danirixin (USAN/INN) |
|---|
| Formula |
C19H21ClFN3O4S
|
|---|
| Exact mass |
441.0925
|
|---|
| Mol weight |
441.90
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory, Chemokine (C-X-C motif) receptor 2 antagonist |
|---|
| Comment |
Treatment of COPD
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CXCR2 (IL8RB, CD182)
D10387 Danirixin (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1x C 10.2200 -18.8300
2 C1x C 10.2200 -20.2300
3 C1x C 11.4324 -20.9300
4 C1y C 12.6449 -20.2300
5 C1x C 12.6449 -18.8300
6 N1x N 11.4324 -18.1300
7 S4a S 13.8760 -20.9410
8 C8y C 15.0812 -20.2453
9 C8y C 16.2635 -20.9281
10 C8y C 17.4760 -20.2283
11 C8x C 17.4762 -18.8283
12 C8x C 16.2938 -18.1455
13 C8y C 15.0813 -18.8453
14 N1b N 18.7070 -20.9393
15 C5a C 19.9107 -20.2446
16 N1b N 21.0937 -20.9278
17 O5a O 19.9113 -18.8303
18 C8y C 22.2874 -20.2387
19 C8x C 23.4754 -20.9249
20 C8x C 24.6879 -20.2250
21 C8x C 24.6882 -18.8250
22 C8y C 23.5002 -18.1389
23 C8y C 22.2877 -18.8387
24 X F 23.5003 -16.7301
25 C1a C 21.0509 -18.1243
26 O1a O 16.2634 -22.3298
27 O3c O 13.1760 -22.1535
28 O3c O 14.5760 -22.1535
29 X Cl 13.8389 -18.1278
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1 #Up
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 10 14 1
16 14 15 1
17 15 16 1
18 15 17 2
19 16 18 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 22 24 1
27 23 25 1
28 9 26 1
29 7 27 2
30 7 28 2
31 13 29 1
|
|---|
