| Entry |
|
|---|
| Name |
Cenicriviroc (USAN/INN) |
|---|
| Formula |
C41H52N4O4S
|
|---|
| Exact mass |
696.3709
|
|---|
| Mol weight |
696.941
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral, C-C chemokine receptor (CCR) antagonist |
|---|
| Comment |
Treatment of HIV infection and arthritis
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
| hsa04061 | Viral protein interaction with cytokine and cytokine receptor |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Chemokine receptors
CCR2 (CD192)
D09878 Cenicriviroc (USAN/INN)
CCR5 (CD195)
D09878 Cenicriviroc (USAN/INN)
Antimicrobials [BR:br08307]
Antivirals
Entry, fusion or uncoating inhibitor
CCR5 antagonist
D09878 Cenicriviroc (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 50
1 C2x C 24.9900 -26.6700
2 C2y C 26.3900 -26.6700
3 C1x C 27.3700 -25.6900
4 C1x C 27.3700 -24.2900
5 C1x C 26.3900 -23.3100
6 N1y N 24.9900 -23.3100
7 C8y C 24.0100 -24.2900
8 C8y C 24.0100 -25.6900
9 C5a C 26.3900 -28.0700
10 N1b N 27.5800 -28.7700
11 C8y C 28.7700 -28.0700
12 O5a O 25.2000 -28.7700
13 C8x C 28.7700 -26.6700
14 C8x C 30.0300 -25.9700
15 C8y C 31.2200 -26.6700
16 C8x C 31.2200 -28.0700
17 C8x C 30.0300 -28.7700
18 S4a S 32.4100 -25.9700
19 C1b C 33.6000 -26.6700
20 C8y C 34.7900 -25.9700
21 N4y N 35.2100 -24.6400
22 C8x C 36.6800 -24.6400
23 N5x N 37.1000 -25.9700
24 C8x C 35.9100 -26.8100
25 O3c O 32.4100 -24.5700
26 C8x C 22.7500 -26.3900
27 C8y C 21.5600 -25.6900
28 C8x C 21.5600 -24.2900
29 C8x C 22.7500 -23.5900
30 C1b C 24.9900 -21.9100
31 C1c C 23.7300 -21.2100
32 C1a C 22.5400 -21.9100
33 C1a C 23.7300 -19.8100
34 C8y C 20.3000 -26.3900
35 C8x C 20.3000 -27.7900
36 C8x C 19.1100 -28.4900
37 C8y C 17.8500 -27.7900
38 C8x C 17.8500 -26.3900
39 C8x C 19.1100 -25.6900
40 O2a O 16.6600 -28.4900
41 C1b C 15.4700 -27.7900
42 C1b C 14.2800 -28.4900
43 O2a O 13.0900 -27.7900
44 C1b C 11.9000 -28.4900
45 C1b C 10.6400 -27.7900
46 C1b C 9.4500 -28.4900
47 C1a C 8.2600 -27.7900
48 C1b C 34.3824 -23.5108
49 C1b C 32.9775 -23.5243
50 C1a C 32.2621 -22.3122
BOND 54
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 2
8 8 1 1
9 2 9 1
10 9 10 1
11 10 11 1
12 9 12 2
13 11 13 2
14 13 14 1
15 14 15 2
16 15 16 1
17 16 17 2
18 11 17 1
19 15 18 1
20 18 19 1 #Up
21 19 20 1
22 21 22 1
23 22 23 2
24 23 24 1
25 24 20 2
26 21 20 1
27 18 25 2
28 8 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 7 29 1
33 6 30 1
34 30 31 1
35 31 32 1
36 31 33 1
37 27 34 1
38 34 35 1
39 35 36 2
40 36 37 1
41 37 38 2
42 38 39 1
43 34 39 2
44 37 40 1
45 40 41 1
46 41 42 1
47 42 43 1
48 43 44 1
49 44 45 1
50 45 46 1
51 46 47 1
52 21 48 1
53 48 49 1
54 49 50 1
|
|---|
