| Entry |
|
|---|
| Name |
Flupamesone;
Flutenal (TN) |
|---|
| Formula |
C73H78F2O16
|
|---|
| Exact mass |
1248.5258
|
|---|
| Mol weight |
1249.38
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-inflammatory (topical), Glucocorticoid receptor agonist |
|---|
| Comment |
Adrenal cortex hormone
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
3-Ketosteroid receptor
NR3C1 (GR)
D07975 Flupamesone
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 91
1 C1y C 29.0609 -20.7771
2 C1y C 27.8599 -21.4711
3 C1y C 27.8605 -22.8847
4 C1y C 30.2859 -22.8969
5 C1z C 30.2853 -21.4834
6 C1y C 31.5103 -23.6031
7 C1z C 32.7342 -22.8959
8 C1y C 32.7336 -21.4824
9 C1x C 31.5091 -20.7761
10 C1x C 31.5109 -25.0167
11 C1x C 32.7354 -25.7229
12 C2y C 33.9593 -25.0155
13 C1z C 33.9586 -23.6020
14 C2x C 35.1837 -25.7218
15 C5x C 36.4076 -25.0145
16 C2x C 36.4070 -23.6010
17 C2x C 35.1825 -22.8948
18 O5x O 37.6589 -25.7367
19 C2x C 11.8465 -23.3217
20 C5x C 11.8465 -24.7353
21 C2x C 13.0706 -25.4420
22 C2y C 14.2949 -24.7353
23 C1z C 14.2949 -23.3217
24 C2x C 13.0706 -22.6150
25 C1x C 15.5190 -25.4420
26 C1x C 16.7431 -24.7353
27 C1y C 16.7431 -23.3217
28 C1z C 15.5190 -22.6150
29 C1y C 17.9673 -22.6150
30 C1z C 17.9673 -21.2015
31 C1x C 16.7431 -20.4947
32 C1y C 15.5190 -21.2015
33 C1a C 14.2949 -21.9082
34 O1a O 14.2969 -20.4959
35 C1a C 17.9673 -19.7879
36 O5x O 10.6224 -25.4420
37 X F 15.5190 -24.0285
38 C1y C 20.4156 -22.6150
39 C1y C 20.4156 -21.2015
40 C1y C 19.3116 -20.7647
41 C5a C 19.3116 -19.3512
42 C1b C 20.5499 -18.6359
43 O5a O 18.1129 -18.6591
44 O7a O 20.5499 -17.2224
45 C7a C 21.7572 -16.5255
46 C8y C 21.7572 -15.1120
47 C8y C 22.9645 -14.4150
48 C8y C 22.9645 -13.0015
49 C8y C 21.7404 -12.2948
50 C8y C 20.5331 -12.9917
51 C8x C 20.5331 -14.4053
52 C8x C 21.7404 -10.8812
53 C8x C 20.5163 -10.1745
54 C8x C 19.3090 -10.8715
55 C8x C 19.3090 -12.2850
56 C1b C 24.1715 -12.3046
57 C8y C 25.3716 -12.9974
58 C8y C 25.3716 -14.4164
59 C8y C 26.5958 -15.1230
60 C8x C 27.8199 -14.4162
61 C8y C 27.8198 -12.9973
62 C8y C 26.5957 -12.2905
63 C8x C 29.0439 -12.2904
64 C8x C 29.0438 -10.8769
65 C8x C 27.8197 -10.1702
66 C8x C 26.5956 -10.8770
67 C7a C 26.5959 -16.5366
68 O7a O 27.8365 -17.2530
69 C1b C 27.8365 -18.6665
70 C5a C 29.0606 -19.3733
71 O5a O 30.3119 -18.6507
72 O2a O 22.9645 -15.4045
73 C1a C 23.4818 -16.6767
74 O2a O 25.3716 -15.4058
75 C1a C 24.9476 -16.7713
76 O6a O 22.1230 -17.8909
77 O6a O 26.2301 -17.9020
78 C1a C 30.2853 -20.0698
79 O1a O 33.9812 -20.7610
80 C1a C 33.9586 -22.1885
81 X F 32.7342 -24.3094
82 O2x O 21.4051 -21.2015
83 O2x O 21.4757 -22.6150
84 O2x O 26.7998 -21.4711
85 O2x O 26.8004 -22.8847
86 C1z C 22.4878 -21.8375
87 C1z C 25.9417 -22.0465
88 C1a C 23.1946 -20.6134
89 C1a C 23.1946 -23.0617
90 C1a C 25.2349 -20.6811
91 C1a C 25.2956 -23.1874
BOND 104
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 4 6 1
7 6 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 6 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 7 13 1
16 12 14 2
17 14 15 1
18 15 16 1
19 16 17 2
20 13 17 1
21 15 18 2
22 19 20 1
23 20 21 1
24 21 22 2
25 22 23 1
26 23 24 1
27 19 24 2
28 22 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 23 28 1
33 27 29 1
34 29 30 1
35 30 31 1
36 31 32 1
37 28 32 1
38 23 33 1 #Up
39 32 34 1 #Up
40 30 35 1 #Up
41 20 36 2
42 28 37 1 #Down
43 29 38 1
44 38 39 1
45 40 41 1 #Up
46 41 42 1
47 41 43 2
48 42 44 1
49 44 45 1
50 45 46 1
51 46 47 2
52 47 48 1
53 48 49 2
54 49 50 1
55 50 51 2
56 46 51 1
57 49 52 1
58 52 53 2
59 53 54 1
60 54 55 2
61 50 55 1
62 48 56 1
63 56 57 1
64 57 58 2
65 58 59 1
66 59 60 2
67 60 61 1
68 61 62 2
69 57 62 1
70 61 63 1
71 63 64 2
72 64 65 1
73 65 66 2
74 62 66 1
75 59 67 1
76 67 68 1
77 68 69 1
78 69 70 1
79 70 71 2
80 47 72 1
81 72 73 1
82 58 74 1
83 74 75 1
84 45 76 2
85 67 77 2
86 39 40 1
87 30 40 1
88 1 70 1 #Up
89 5 78 1 #Up
90 8 79 1 #Up
91 13 80 1 #Up
92 7 81 1 #Down
93 39 82 1 #Down
94 38 83 1 #Down
95 2 84 1 #Down
96 3 85 1 #Down
97 82 86 1
98 83 86 1
99 84 87 1
100 85 87 1
101 86 88 1
102 86 89 1
103 87 90 1
104 87 91 1
|
|---|
