| Entry |
|
|---|
| Name |
Efipladib (USAN) |
|---|
| Formula |
C40H35Cl3N2O4S
|
|---|
| Exact mass |
744.1383
|
|---|
| Mol weight |
746.14
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Analgesic, Anti-inflammatory, Cytosolic phospholipase A2-alpha inhibitor |
|---|
| Comment |
Treatment of pain and symptomatic management of arthritis
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Carboxylic-ester hydrolases
PLA2G4A
D06674 Efipladib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 50
1 C8x C 12.2278 -24.1152
2 C8x C 12.2278 -25.5128
3 C8x C 13.4380 -26.2115
4 C8x C 14.6485 -25.5128
5 C8y C 14.6485 -24.1152
6 C8x C 13.4380 -23.4164
7 C8x C 17.0690 -25.5128
8 C8y C 17.0690 -24.1152
9 C1c C 15.8588 -23.4164
10 C8x C 18.2795 -26.2115
11 C8x C 19.4897 -25.5128
12 C8x C 19.4897 -24.1152
13 C8x C 18.2795 -23.4164
14 N4y N 15.8588 -22.0188
15 C8y C 16.9912 -21.1960
16 C8y C 16.5587 -19.8649
17 C8y C 15.1589 -19.8649
18 C8y C 14.7263 -21.1960
19 C8x C 14.2237 -18.8263
20 C8y C 12.8567 -19.1167
21 C8x C 12.4241 -20.4481
22 C8x C 13.3593 -21.4866
23 X Cl 11.9050 -18.0604
24 C1b C 18.2028 -21.8956
25 C1b C 19.4146 -21.1960
26 C1b C 17.2582 -18.5833
27 C1b C 18.6573 -18.5833
28 N1b N 20.6473 -21.9081
29 S4a S 21.8505 -21.2134
30 C1b C 23.0327 -21.8962
31 C8y C 24.2256 -21.2074
32 C8x C 25.4130 -21.8931
33 C8y C 26.6247 -21.1936
34 C8y C 26.6248 -19.7945
35 C8x C 25.4375 -19.1088
36 C8x C 24.2257 -19.8083
37 X Cl 27.8505 -19.0867
38 X Cl 27.8550 -21.9042
39 O3c O 22.8398 -20.2241
40 O3c O 20.8612 -20.2241
41 C1b C 19.3488 -17.3861
42 C8y C 20.7699 -17.3170
43 C8x C 21.5435 -18.5174
44 C8x C 22.9409 -18.5190
45 C8y C 23.5805 -17.2746
46 C8x C 22.8069 -16.0743
47 C8x C 21.4095 -16.0727
48 C6a C 24.9658 -17.2769
49 O6a O 25.7262 -18.4569
50 O6a O 25.6041 -16.0352
BOND 55
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 8 13 2
15 9 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 14 18 1
21 17 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 18 22 2
26 20 23 1
27 15 24 1
28 24 25 1
29 16 26 1
30 26 27 1
31 25 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 34 35 1
39 35 36 2
40 31 36 1
41 34 37 1
42 33 38 1
43 29 39 2
44 29 40 2
45 27 41 1
46 41 42 1
47 42 43 2
48 43 44 1
49 44 45 2
50 45 46 1
51 46 47 2
52 42 47 1
53 45 48 1
54 48 49 2
55 48 50 1
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|---|
