| Entry |
|
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| Name |
Icotrokinra (USAN/INN) |
|---|
| Formula |
C90H120N20O22S2
|
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| Exact mass |
1896.8327
|
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| Mol weight |
1898.17
|
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| Structure |
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| Remark |
|
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| Efficacy |
Anti-inflammatory disease, IL-23 receptor antagonist |
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| Comment |
Treatment of inflammatory bowel disease, psoriasis, and psoriatic arthritis
|
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| Target |
|
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| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
|
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| Brite |
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
Interleukin receptors
IL23R
D13108 Icotrokinra (USAN/INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 134
1 C5x C 13.9408 -13.1702
2 N1x N 13.9408 -14.5713
3 C1y C 15.1317 -15.2718
4 C1z C 16.3927 -14.5713
5 S3x S 16.3927 -13.1702
6 O5x O 15.1317 -12.4697
7 N1x N 12.6798 -11.0686
8 C1y C 12.6798 -12.4697
9 C5a C 15.1317 -16.6729
10 C5x C 11.4889 -10.3680
11 O5x O 10.2980 -11.0686
12 C1y C 11.4889 -8.9669
13 C1b C 11.4889 -13.1702
14 O5a O 13.9408 -17.3735
15 N1b N 16.3226 -17.3735
16 C1b C 10.2980 -8.1963
17 N1x N 12.6798 -8.1963
18 C8y C 9.1071 -8.9669
19 C8y C 7.8461 -8.3365
20 C8y C 6.9354 -9.4573
21 N4x N 7.5659 -10.6482
22 C8x C 8.9669 -10.2980
23 C8x C 7.4258 -7.0054
24 C8x C 6.0247 -6.7252
25 C8x C 5.1140 -7.7060
26 C8y C 5.5343 -9.1071
27 C1a C 4.6236 -10.1579
28 C5x C 12.6798 -6.7953
29 C1y C 13.9408 -6.0947
30 O5x O 11.4889 -6.0947
31 N1x N 15.1317 -6.7953
32 C5x C 16.3226 -6.0947
33 C1c C 13.9408 -4.6936
34 C1a C 15.2018 -3.9931
35 O1a O 12.6798 -3.9931
36 C1y C 17.5136 -6.7953
37 O5x O 16.3226 -4.6936
38 C1b C 18.7045 -6.0947
39 N1x N 17.5136 -8.1963
40 C5a C 18.7045 -4.6936
41 N1a N 19.8954 -3.9931
42 O5a O 17.5136 -3.9931
43 C5x C 18.7045 -8.9669
44 O5x O 19.8954 -8.1963
45 C1y C 18.7045 -10.3680
46 N1b N 19.8954 -11.0686
47 C1z C 17.5136 -11.0686
48 C5a C 21.0863 -10.3680
49 C1a C 22.2773 -11.0686
50 O5a O 21.0863 -8.9669
51 S3x S 17.5136 -12.4697
52 C1a C 16.8130 -9.8776
53 C1a C 16.1125 -11.0686
54 C1c C 16.3226 -18.8446
55 C1b C 15.1317 -19.5451
56 C5a C 17.5136 -19.5451
57 O5a O 18.7045 -18.8446
58 N1b N 17.5136 -20.9462
59 C1c C 18.7045 -21.6468
60 C5a C 19.8954 -20.9462
61 C1b C 18.7045 -23.0478
62 O5a O 21.0863 -21.6468
63 N1b N 19.8954 -19.5451
64 C1z C 21.0863 -18.8446
65 C8y C 19.8954 -23.7484
66 C8x C 19.8954 -25.1495
67 C8y C 21.1564 -25.8500
68 C8y C 22.3473 -25.1495
69 C8x C 22.3473 -23.7484
70 C8x C 21.1564 -23.0478
71 C8x C 21.1564 -27.2511
72 C8x C 22.3473 -27.9516
73 C8x C 23.6083 -27.2511
74 C8x C 23.6083 -25.8500
75 C8y C 15.1317 -20.9462
76 C8x C 13.9408 -21.6468
77 C8x C 13.9408 -23.0478
78 C8y C 15.1317 -23.7484
79 C8x C 16.3226 -23.0478
80 C8x C 16.3226 -21.6468
81 O2a O 15.1317 -25.1495
82 C1b C 13.9408 -25.8500
83 C1b C 12.6798 -25.1495
84 N1a N 11.4889 -25.8500
85 C5a C 22.2773 -19.5451
86 C1x C 19.8954 -16.6729
87 C1x C 19.8954 -18.0740
88 C1x C 22.3473 -18.0740
89 C1x C 22.3473 -16.6729
90 O2x O 21.0863 -15.9724
91 N1b N 23.4682 -18.8446
92 O5a O 22.2773 -20.9462
93 C1c C 24.7292 -19.5451
94 C5a C 25.9201 -18.8446
95 C1b C 24.7292 -20.9462
96 N1b N 27.1110 -19.5451
97 O5a O 25.9201 -17.3735
98 C1b C 25.9201 -21.6468
99 C6a C 25.9201 -23.0478
100 O6a O 24.7292 -23.7484
101 O6a O 27.1110 -23.7484
102 C1c C 28.3720 -18.8446
103 C1b C 29.5629 -19.6152
104 C5a C 28.3720 -17.3735
105 O5a O 29.5629 -16.6729
106 C5a C 30.7538 -18.9146
107 N1a N 31.9447 -19.6152
108 O5a O 30.7538 -17.4435
109 N1b N 27.1811 -16.6729
110 C1c C 27.1811 -15.2718
111 C1b C 11.4889 -14.5713
112 C1b C 10.2980 -15.2718
113 C1b C 10.2980 -16.6729
114 N1b N 9.1071 -17.3735
115 C5a C 9.1071 -18.8446
116 C1a C 7.9161 -19.5451
117 O5a O 10.2980 -19.5451
118 C1a C 17.7938 -14.5713
119 C1a C 17.3735 -15.5520
120 C1b C 28.3720 -14.5713
121 C5a C 25.9901 -14.5713
122 O5a O 24.7992 -15.2718
123 N1c N 25.9901 -13.1702
124 C1a C 24.7992 -12.4697
125 C8y C 29.7731 -14.5713
126 C8x C 30.4736 -15.7622
127 C8x C 31.8747 -15.7622
128 C8x C 32.5752 -14.5713
129 N5x N 31.8747 -13.3804
130 C8x C 30.4736 -13.3804
131 C1b C 27.1811 -12.4697
132 C5a C 27.1811 -11.0686
133 N1a N 28.3720 -10.3680
134 O5a O 25.9901 -10.3680
BOND 141
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 6 2
6 7 8 1
7 1 8 1
8 3 9 1 #Up
9 7 10 1
10 10 11 2
11 10 12 1
12 8 13 1 #Down
13 9 14 2
14 9 15 1
15 12 16 1 #Down
16 12 17 1
17 16 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 18 22 2
23 19 23 2
24 23 24 1
25 24 25 2
26 25 26 1
27 20 26 2
28 26 27 1
29 17 28 1
30 28 29 1
31 28 30 2
32 29 31 1
33 31 32 1
34 29 33 1
35 33 34 1
36 33 35 1 #Down
37 32 36 1
38 32 37 2
39 36 38 1 #Down
40 36 39 1
41 38 40 1
42 40 41 1
43 40 42 2
44 39 43 1
45 43 44 2
46 43 45 1
47 45 46 1 #Up
48 45 47 1
49 46 48 1
50 48 49 1
51 48 50 2
52 5 51 1
53 51 47 1
54 47 52 1
55 47 53 1
56 15 54 1
57 54 55 1 #Down
58 54 56 1
59 56 57 2
60 56 58 1
61 58 59 1
62 59 60 1
63 59 61 1 #Down
64 60 62 2
65 60 63 1
66 63 64 1
67 61 65 1
68 65 66 2
69 66 67 1
70 67 68 2
71 68 69 1
72 69 70 2
73 65 70 1
74 67 71 1
75 71 72 2
76 72 73 1
77 73 74 2
78 68 74 1
79 55 75 1
80 75 76 2
81 76 77 1
82 77 78 2
83 78 79 1
84 79 80 2
85 75 80 1
86 78 81 1
87 81 82 1
88 82 83 1
89 83 84 1
90 64 85 1
91 86 87 1
92 87 64 1
93 64 88 1
94 88 89 1
95 89 90 1
96 86 90 1
97 85 91 1
98 85 92 2
99 91 93 1
100 93 94 1
101 93 95 1 #Down
102 94 96 1
103 94 97 2
104 95 98 1
105 98 99 1
106 99 100 1
107 99 101 2
108 102 96 1
109 102 103 1 #Down
110 102 104 1
111 104 105 2
112 103 106 1
113 106 107 1
114 106 108 2
115 104 109 1
116 109 110 1
117 13 111 1
118 111 112 1
119 112 113 1
120 113 114 1
121 114 115 1
122 115 116 1
123 115 117 2
124 4 118 1
125 4 119 1
126 110 120 1 #Down
127 110 121 1
128 121 122 2
129 121 123 1
130 123 124 1
131 120 125 1
132 125 126 2
133 126 127 1
134 127 128 2
135 128 129 1
136 129 130 2
137 125 130 1
138 123 131 1
139 131 132 1
140 132 133 1
141 132 134 2
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