Entry |
|
Name |
Firtecan pegol (USAN/INN) |
Formula |
C110H106N12O33(C2H4O)n(C2H4O)n(C2H4O)n(C2H4O)n
|
Structure |

|
Class |
Other
DG01529 Topoisomerase inhibitor
DG01526 Topoisomerase I inhibitor
|
Efficacy |
Antineoplastic, Topoisomerase I inhibitor |
Target |
|
Pathway |
|
Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Isomerases (EC5)
DNA topoisomerase
TOP1
D10464 Firtecan pegol (USAN/INN)
Not elsewhere classified
Signaling molecules
Transcription factor
HIF1A
D10464 Firtecan pegol (USAN/INN)
|
Other DBs |
|
KCF data |
ATOM 167
1 C5a C 42.0700 -20.5800
2 C1b C 40.8800 -21.2800
3 N1b N 43.2600 -21.2800
4 O5a O 42.0700 -19.1800
5 O2a O 39.6900 -20.5800
6 C1b C 38.5000 -21.2800
7 C1b C 37.3100 -20.5800
8 O2a O 36.1200 -21.2800
9 C1b C 44.4500 -20.5800
10 C7a C 45.6400 -21.2800
11 O6a O 46.8300 -20.5800
12 O7a O 45.6400 -22.6800
13 C1z C 45.6400 -24.0800
14 C8y C 46.3400 -25.3400
15 C8y C 45.5700 -26.4600
16 C1x C 44.1700 -26.4600
17 O7x O 43.5400 -25.2700
18 C7x C 44.2400 -24.0800
19 O6a O 43.6100 -22.8200
20 C8x C 47.7400 -25.3400
21 C8y C 48.3000 -26.6700
22 N4y N 47.6000 -27.7900
23 C8y C 46.2000 -27.7900
24 O5x O 45.5000 -28.9800
25 C8y C 49.7000 -27.0200
26 C8y C 49.7000 -28.3500
27 C1x C 48.4400 -28.8400
28 C8y C 52.1500 -27.0200
29 C8y C 52.1500 -28.4200
30 C8y C 50.9600 -29.1200
31 N5x N 50.9600 -26.3200
32 C8x C 53.3400 -26.3200
33 C8x C 54.6000 -27.0200
34 C8y C 54.6000 -28.4200
35 C8x C 53.3400 -29.1200
36 O1a O 55.7900 -29.1200
37 C1b C 50.9600 -30.5200
38 C1a C 52.1500 -31.2200
39 C1b C 47.0400 -24.0800
40 C1a C 47.7400 -22.8900
41 C1b C 34.9300 -20.5800
42 C5a C 22.0500 -20.4400
43 C1b C 23.2400 -21.1400
44 N1b N 20.8600 -21.1400
45 O5a O 22.0500 -19.0400
46 O2a O 24.4300 -20.4400
47 C1b C 25.6200 -21.1400
48 C1b C 26.8100 -20.4400
49 O2a O 28.0000 -21.1400
50 C1b C 30.1700 -20.4400
51 C1b C 33.7400 -16.0300
52 C1c C 34.9300 -16.7300
53 O2a O 32.5500 -16.7300
54 O2a O 36.1200 -16.0300
55 C1b C 37.3100 -16.7300
56 C1b C 31.3600 -16.0300
57 C1c C 30.1700 -16.7300
58 O2a O 27.9300 -16.0300
59 C1b C 26.7400 -16.7300
60 C1b C 38.5000 -16.0300
61 O2a O 39.6900 -16.7300
62 C1b C 25.5500 -16.0300
63 O2a O 24.3600 -16.7300
64 C1b C 23.1700 -16.0300
65 C5a C 21.9800 -16.7300
66 N1b N 20.7900 -16.0300
67 O5a O 21.9800 -18.1300
68 C1b C 19.6000 -16.7300
69 C7a C 18.4100 -16.0300
70 O6a O 17.2200 -16.7300
71 O7a O 18.4100 -14.6300
72 C1z C 18.4100 -13.2300
73 C7x C 19.8100 -13.2300
74 O7x O 20.5100 -11.9700
75 C1x C 19.7400 -10.7800
76 C8y C 18.3400 -10.7800
77 C8y C 17.6400 -12.0400
78 O6a O 20.5100 -14.4200
79 C8y C 17.5700 -9.5900
80 N4y N 16.2400 -9.5900
81 C8y C 15.5400 -10.8500
82 C8x C 16.2400 -12.0400
83 O5x O 18.2700 -8.4000
84 C1x C 15.2600 -8.4700
85 C8y C 13.9300 -9.1000
86 C8y C 13.9300 -10.5700
87 C8y C 11.4800 -9.1000
88 C8y C 11.4800 -10.5000
89 N5x N 12.6700 -11.2000
90 C8y C 12.6700 -8.4000
91 C8x C 10.2900 -8.4000
92 C8y C 9.0300 -9.1000
93 C8x C 9.0300 -10.5000
94 C8x C 10.2900 -11.2000
95 C1b C 12.6700 -7.0000
96 C1a C 11.4100 -6.3000
97 O1a O 7.8400 -8.4000
98 C1b C 17.0100 -13.2300
99 C1a C 16.3100 -14.4900
100 C1b C 19.6700 -20.4400
101 C7a C 18.4800 -21.1400
102 O6a O 17.2900 -20.4400
103 O7a O 18.4800 -22.5400
104 C1z C 18.4800 -23.9400
105 C8y C 17.7800 -25.2000
106 C8y C 18.5500 -26.3200
107 C1x C 19.9500 -26.3200
108 O7x O 20.5800 -25.1300
109 C7x C 19.8800 -23.9400
110 O6a O 20.5100 -22.6800
111 C8x C 16.3800 -25.2000
112 C8y C 15.8200 -26.5300
113 N4y N 16.5200 -27.6500
114 C8y C 17.9200 -27.6500
115 O5x O 18.6200 -28.8400
116 C8y C 14.4200 -26.8800
117 C8y C 14.4200 -28.2100
118 C1x C 15.6800 -28.7000
119 C8y C 11.9700 -26.8800
120 C8y C 11.9700 -28.2800
121 C8y C 13.1600 -28.9800
122 N5x N 13.1600 -26.1800
123 C8x C 10.7800 -26.1800
124 C8x C 9.5200 -26.8800
125 C8y C 9.5200 -28.2800
126 C8x C 10.7800 -28.9800
127 O1a O 8.3300 -28.9800
128 C1b C 13.1600 -30.3800
129 C1a C 11.9700 -31.0800
130 C1b C 40.8800 -16.0300
131 C5a C 42.0700 -16.7300
132 N1b N 43.2600 -16.0300
133 O5a O 42.0700 -18.1300
134 C1b C 17.0800 -23.9400
135 C1a C 16.3800 -22.7500
136 C1b C 44.4500 -16.7300
137 C7a C 45.7100 -16.0300
138 O6a O 46.9000 -16.8000
139 O7a O 45.7100 -14.6300
140 C1z C 45.7100 -13.2300
141 C7x C 44.3100 -13.2300
142 O7x O 43.6100 -11.9700
143 C1x C 44.3800 -10.7800
144 C8y C 45.7800 -10.7800
145 C8y C 46.4800 -12.0400
146 O6a O 43.6100 -14.4200
147 C8y C 46.5500 -9.5900
148 N4y N 47.8800 -9.5900
149 C8y C 48.5800 -10.8500
150 C8x C 47.8800 -12.0400
151 O5x O 45.8500 -8.4000
152 C1x C 48.8600 -8.4700
153 C8y C 50.1900 -9.1000
154 C8y C 50.1900 -10.5700
155 C8y C 52.6400 -9.1000
156 C8y C 52.6400 -10.5000
157 N5x N 51.4500 -11.2000
158 C8y C 51.4500 -8.4000
159 C8x C 53.8300 -8.4000
160 C8y C 55.0900 -9.1000
161 C8x C 55.0900 -10.5000
162 C8x C 53.8300 -11.2000
163 C1b C 51.4500 -7.0000
164 C1a C 52.7100 -6.3000
165 O1a O 56.2800 -8.4000
166 C1b C 47.1100 -13.2300
167 C1a C 47.8100 -14.4900
BOND 186
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 3 9 1
9 9 10 1
10 10 11 2
11 10 12 1
12 13 12 1 #Up
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 1
17 17 18 1
18 13 18 1
19 18 19 2
20 14 20 1
21 20 21 2
22 21 22 1
23 22 23 1
24 15 23 1
25 23 24 2
26 21 25 1
27 25 26 2
28 26 27 1
29 22 27 1
30 28 29 1
31 29 30 2
32 30 26 1
33 25 31 1
34 28 31 2
35 28 32 1
36 32 33 2
37 33 34 1
38 34 35 2
39 29 35 1
40 34 36 1
41 30 37 1
42 37 38 1
43 13 39 1 #Down
44 39 40 1
45 8 41 1
46 42 43 1
47 42 44 1
48 42 45 2
49 43 46 1
50 46 47 1
51 47 48 1
52 48 49 1
53 49 50 1
54 51 52 1
55 51 53 1
56 52 54 1
57 54 55 1
58 53 56 1
59 56 57 1
60 57 58 1
61 58 59 1
62 55 60 1
63 60 61 1
64 59 62 1
65 62 63 1
66 63 64 1
67 64 65 1
68 65 66 1
69 65 67 2
70 66 68 1
71 68 69 1
72 69 70 2
73 69 71 1
74 72 71 1 #Up
75 72 73 1
76 73 74 1
77 74 75 1
78 75 76 1
79 76 77 2
80 72 77 1
81 73 78 2
82 76 79 1
83 79 80 1
84 80 81 1
85 81 82 2
86 77 82 1
87 79 83 2
88 80 84 1
89 84 85 1
90 85 86 2
91 81 86 1
92 87 88 1
93 88 89 2
94 89 86 1
95 85 90 1
96 87 90 2
97 87 91 1
98 91 92 2
99 92 93 1
100 93 94 2
101 88 94 1
102 90 95 1
103 95 96 1
104 92 97 1
105 72 98 1 #Down
106 98 99 1
107 50 57 1
108 44 100 1
109 100 101 1
110 101 102 2
111 101 103 1
112 104 103 1 #Down
113 104 105 1
114 105 106 2
115 106 107 1
116 107 108 1
117 108 109 1
118 104 109 1
119 109 110 2
120 105 111 1
121 111 112 2
122 112 113 1
123 113 114 1
124 106 114 1
125 114 115 2
126 112 116 1
127 116 117 2
128 117 118 1
129 113 118 1
130 119 120 1
131 120 121 2
132 121 117 1
133 116 122 1
134 119 122 2
135 119 123 1
136 123 124 2
137 124 125 1
138 125 126 2
139 120 126 1
140 125 127 1
141 121 128 1
142 128 129 1
143 61 130 1
144 130 131 1
145 131 132 1
146 131 133 2
147 104 134 1 #Up
148 134 135 1
149 132 136 1
150 136 137 1
151 137 138 2
152 137 139 1
153 140 139 1 #Down
154 140 141 1
155 141 142 1
156 142 143 1
157 143 144 1
158 144 145 2
159 140 145 1
160 141 146 2
161 144 147 1
162 147 148 1
163 148 149 1
164 149 150 2
165 145 150 1
166 147 151 2
167 148 152 1
168 152 153 1
169 153 154 2
170 149 154 1
171 155 156 1
172 156 157 2
173 157 154 1
174 153 158 1
175 155 158 2
176 155 159 1
177 159 160 2
178 160 161 1
179 161 162 2
180 156 162 1
181 158 163 1
182 163 164 1
183 160 165 1
184 140 166 1 #Up
185 166 167 1
186 41 52 1
BRACKET 1 25.0600 -17.5700 25.0600 -14.6300
1 28.7700 -14.6300 28.7700 -17.5700
1 n
ORIGINAL 1 58 59 62
REPEAT 1
2 25.1300 -21.9100 25.1300 -19.4600
2 28.9800 -19.4600 28.9800 -21.9100
2 n
ORIGINAL 2 47 48 49
REPEAT 2
3 35.2800 -17.8500 35.2800 -15.1200
3 38.8500 -15.1200 38.8500 -17.8500
3 n
ORIGINAL 3 54 55 60
REPEAT 3
4 35.3500 -22.6800 35.3500 -19.6700
4 38.9900 -19.6700 38.9900 -22.6800
4 n
ORIGINAL 4 6 7 8
REPEAT 4
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