Entry |
|
Name |
Vintafolide (USAN/INN) |
Formula |
C86H109N21O26S2
|
Exact mass |
1915.7294
|
Mol weight |
1917.04
|
Structure |

|
Class |
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
|
Remark |
|
Efficacy |
Antineoplastic, Folate receptor agonist |
Comment |
Vinca alkaloid derivative
|
Target |
|
Pathway |
|
Interaction |
|
Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01C PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS
L01CA Vinca alkaloids and analogues
L01CA06 Vintafolide
D10434 Vintafolide (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01965 Vinca alkaloid antineoplastic
D10434 Vintafolide
Target-based classification of drugs [BR:br08310]
Transporters
Other transporters
Others
FOLR
D10434 Vintafolide (USAN/INN)
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Other DBs |
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LinkDB |
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KCF data |
ATOM 135
1 C1z C 19.6610 -22.4606
2 C1y C 20.7805 -21.7609
3 C1y C 19.6610 -23.7201
4 C8y C 17.4219 -22.4606
5 C1x C 18.8213 -21.3410
6 C1z C 21.9001 -22.4606
7 N1y N 20.7805 -20.4314
8 C1z C 20.7805 -24.4198
9 N1y N 18.5414 -24.4198
10 C8y C 17.4219 -23.7201
11 C8x C 16.3024 -21.7609
12 C1x C 19.4511 -20.4314
13 C1y C 21.9001 -23.7201
14 C2x C 23.0896 -21.7609
15 C1b C 23.0196 -23.0903
16 C1x C 21.9001 -19.8017
17 C5a C 21.6901 -25.5393
18 O1a O 20.2907 -26.3090
19 C8x C 16.3024 -24.4198
20 C8y C 15.1828 -22.4606
21 O1a O 24.0692 -24.2798
22 C2x C 23.0896 -20.4314
23 C1a C 24.1391 -22.4606
24 N1b N 21.6901 -26.8688
25 C8y C 15.1828 -23.7201
26 C1z C 12.6638 -20.0815
27 O2a O 14.0633 -24.3498
28 C8y C 11.5443 -19.3119
29 C1x C 13.9233 -19.3119
30 C7a C 12.3140 -21.3410
31 C1a C 12.9437 -23.7201
32 C8y C 11.5443 -17.9824
33 C1y C 13.9233 -18.0524
34 O7a O 10.8446 -21.8308
35 O6a O 13.1536 -22.3906
36 C1x C 10.8446 -16.8629
37 C1x C 12.8038 -17.4226
38 C1x C 15.1128 -17.2127
39 C1a C 10.0049 -23.2303
40 C1x C 11.6143 -15.8833
41 N1y N 12.8038 -16.1632
42 C1z C 15.0429 -16.0932
43 C1x C 13.9233 -15.3935
44 C1b C 16.5822 -16.5830
45 O1a O 15.8825 -14.7637
46 C1a C 17.6318 -15.9532
47 O5a O 23.0196 -25.0495
48 C8y C 9.4452 -18.6821
49 N4x N 10.2149 -19.8716
50 C8y C 10.2149 -17.5626
51 C8x C 9.5151 -16.2331
52 C8x C 8.1157 -16.2331
53 C8x C 7.4160 -17.4226
54 C8x C 8.1857 -18.6821
55 N1b N 22.8797 -27.5685
56 C7a C 24.0692 -26.8688
57 O7a O 25.2587 -27.5685
58 O6a O 24.0692 -25.4693
59 C1b C 26.4482 -26.8688
60 C1b C 27.6377 -27.5685
61 S3a S 28.8272 -26.8688
62 S3a S 30.0167 -27.5685
63 C1b C 31.2062 -26.8688
64 C1c C 32.3957 -27.5685
65 N1b N 33.5853 -26.8688
66 C6a C 32.3957 -28.9679
67 C5a C 34.7748 -27.5685
68 C1c C 35.9643 -26.8688
69 O5a O 34.7748 -28.9679
70 N1b N 37.1538 -27.5685
71 C1b C 35.9643 -25.4693
72 C5a C 38.3433 -26.8688
73 C1c C 39.5328 -27.5685
74 O5a O 38.3433 -25.4693
75 N1b N 40.7223 -26.8688
76 C1b C 39.5328 -28.9679
77 O6a O 31.2062 -29.6676
78 C6a C 34.7748 -24.7696
79 O6a O 33.5853 -25.4693
80 O6a O 34.7748 -23.3702
81 C6a C 38.3433 -29.6676
82 O6a O 37.1538 -28.9679
83 O6a O 38.3433 -31.0670
84 C5a C 41.9118 -27.5685
85 C1c C 43.1013 -26.8688
86 O5a O 41.9118 -28.9679
87 N1b N 44.2909 -27.5685
88 C1b C 43.1013 -25.4693
89 C1b C 41.9118 -24.7696
90 C1b C 41.9118 -23.3702
91 N1b N 40.7223 -22.6705
92 C2c C 39.5328 -23.3702
93 N1a N 38.3433 -22.6705
94 N2a N 39.5328 -24.7696
95 C5a C 45.4804 -26.8688
96 C1c C 46.6699 -27.5685
97 O5a O 45.4804 -25.4693
98 N1b N 47.8594 -26.8688
99 C1b C 46.6699 -28.9679
100 C6a C 45.4804 -29.6676
101 O6a O 44.2909 -28.9679
102 O6a O 45.4804 -31.0670
103 C5a C 49.0489 -27.5685
104 C1b C 50.2384 -26.8688
105 O5a O 49.0489 -28.9679
106 C1b C 51.4279 -27.5685
107 C1c C 52.6174 -26.8688
108 N1b N 53.8069 -27.5685
109 C6a C 52.6174 -25.4693
110 O6a O 51.4279 -24.7696
111 C5a C 54.9965 -26.8688
112 C8y C 56.1860 -27.5685
113 O5a O 54.9965 -25.4693
114 C8x C 56.1860 -28.9679
115 C8x C 57.4455 -29.6676
116 C8y C 58.6350 -28.9679
117 C8x C 58.6350 -27.5685
118 C8x C 57.4455 -26.8688
119 N1b N 59.8245 -29.6676
120 C1b C 61.0140 -28.9679
121 C8y C 62.2035 -29.6676
122 C8x C 62.2035 -31.0670
123 N5x N 63.4630 -31.7667
124 C8y C 64.6525 -31.0670
125 C8y C 64.6525 -29.6676
126 N5x N 63.4630 -28.9679
127 N5x N 65.8420 -31.7667
128 C8y C 67.1015 -31.0670
129 N4x N 67.1015 -29.6676
130 C8y C 65.8420 -28.9679
131 O6a O 53.8069 -24.7696
132 O5x O 65.8420 -27.5685
133 N1a N 68.2910 -31.7667
134 C1a C 17.5618 -25.3994
135 O6a O 33.6270 -29.6721
BOND 146
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 2
10 4 11 1
11 5 12 1
12 6 13 1
13 6 14 1
14 6 15 1 #Down
15 7 16 1
16 8 17 1 #Down
17 8 18 1 #Up
18 10 19 1
19 11 20 2
20 13 21 1 #Up
21 14 22 2
22 15 23 1
23 17 24 1
24 19 25 2
25 26 20 1 #Down
26 25 27 1
27 26 28 1
28 26 29 1
29 26 30 1 #Up
30 27 31 1
31 28 32 2
32 29 33 1
33 30 34 1
34 30 35 2
35 32 36 1
36 33 37 1 #Down
37 33 38 1
38 34 39 1
39 36 40 1
40 41 37 1 #Down
41 38 42 1
42 41 43 1
43 42 44 1 #Down
44 42 45 1 #Up
45 44 46 1
46 7 12 1
47 8 13 1
48 9 10 1
49 16 22 1
50 20 25 1
51 40 41 1
52 42 43 1
53 17 47 2
54 48 49 1
55 49 28 1
56 32 50 1
57 48 50 1
58 50 51 2
59 51 52 1
60 52 53 2
61 53 54 1
62 48 54 2
63 24 55 1
64 55 56 1
65 56 57 1
66 56 58 2
67 57 59 1
68 59 60 1
69 60 61 1
70 61 62 1
71 62 63 1
72 63 64 1
73 64 65 1
74 64 66 1 #Down
75 65 67 1
76 67 68 1
77 67 69 2
78 68 70 1
79 68 71 1 #Down
80 70 72 1
81 72 73 1
82 72 74 2
83 73 75 1
84 73 76 1 #Up
85 66 77 1
86 71 78 1
87 78 79 1
88 78 80 2
89 76 81 1
90 81 82 1
91 81 83 2
92 75 84 1
93 84 85 1
94 84 86 2
95 85 87 1
96 85 88 1 #Down
97 88 89 1
98 89 90 1
99 90 91 1
100 91 92 1
101 92 93 1
102 92 94 2
103 87 95 1
104 95 96 1
105 95 97 2
106 96 98 1
107 96 99 1 #Up
108 99 100 1
109 100 101 1
110 100 102 2
111 98 103 1
112 103 104 1
113 103 105 2
114 104 106 1
115 106 107 1
116 107 108 1
117 107 109 1 #Up
118 109 110 1
119 108 111 1
120 111 112 1
121 111 113 2
122 112 114 2
123 114 115 1
124 115 116 2
125 116 117 1
126 117 118 2
127 112 118 1
128 116 119 1
129 119 120 1
130 120 121 1
131 121 122 1
132 122 123 2
133 123 124 1
134 124 125 2
135 125 126 1
136 121 126 2
137 124 127 1
138 127 128 2
139 128 129 1
140 129 130 1
141 125 130 1
142 109 131 2
143 130 132 2
144 128 133 1
145 9 134 1
146 66 135 2
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