| Entry |
|
|---|
| Name |
Camobucol (USAN/INN) |
|---|
| Formula |
C33H50O4S2
|
|---|
| Exact mass |
574.3151
|
|---|
| Mol weight |
574.88
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Anti-inflammatory, Antioxidant |
|---|
| Comment |
Treatment of inflammatory diseases
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cell surface molecules and ligands
Cell adhesion molecules: Ig superfamiy
CAMs
VCAM1
D06570 Camobucol (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C1d C 35.0224 -13.1930
2 C8y C 33.8103 -12.4822
3 C1a C 36.2226 -13.9039
4 C1a C 34.3173 -14.4049
5 C1a C 35.7157 -11.9869
6 C8y C 33.8220 -11.0778
7 C8x C 32.6101 -13.1755
8 C8y C 32.6159 -10.3787
9 O2a O 35.0341 -10.3845
10 C8y C 31.4040 -12.4705
11 C1d C 32.6218 -8.9803
12 C8x C 31.4040 -11.0720
13 S2a S 30.1978 -13.1697
14 C1a C 32.6159 -7.5819
15 C1a C 34.0143 -8.9860
16 C1a C 31.2117 -8.9860
17 C1d C 28.9857 -12.4646
18 S2a S 27.7739 -13.1581
19 C1a C 29.9765 -11.4683
20 C1a C 27.9895 -11.4683
21 C8y C 26.5677 -12.4588
22 C8x C 26.5736 -11.0430
23 C8x C 25.3441 -13.1521
24 C8y C 25.3499 -10.3438
25 C8y C 24.1437 -12.4529
26 C1d C 25.3499 -8.9453
27 C8y C 24.1437 -11.0430
28 C1d C 22.9319 -13.1521
29 C1a C 25.3382 -7.5469
30 C1a C 26.7483 -8.9511
31 C1a C 23.9457 -8.9570
32 O1a O 22.9259 -10.3438
33 C1a C 21.7140 -13.8514
34 C1a C 23.6252 -14.3642
35 C1a C 22.2210 -11.9402
36 C1b C 36.2076 -11.0682
37 C6a C 37.4130 -10.3785
38 O6a O 38.5900 -11.0642
39 O6a O 37.3489 -8.9605
BOND 40
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 2 7 2
7 6 8 2
8 6 9 1
9 7 10 1
10 8 11 1
11 8 12 1
12 10 13 1
13 11 14 1
14 11 15 1
15 11 16 1
16 13 17 1
17 17 18 1
18 17 19 1
19 17 20 1
20 18 21 1
21 21 22 1
22 21 23 2
23 22 24 2
24 23 25 1
25 24 26 1
26 24 27 1
27 25 28 1
28 26 29 1
29 26 30 1
30 26 31 1
31 27 32 1
32 28 33 1
33 28 34 1
34 28 35 1
35 10 12 2
36 25 27 2
37 9 36 1
38 36 37 1
39 37 38 1
40 37 39 2
|
|---|
