| Entry |
|
|---|
| Name |
Rezafungin (USAN/INN) |
|---|
| Formula |
C63H85N8O17
|
|---|
| Exact mass |
1225.6033
|
|---|
| Mol weight |
1226.39
|
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| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
| Product (DG02946): | D11198<US> |
|
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| Efficacy |
Antifungal |
|---|
| Comment |
Treatment of candidemia and invasive candiasis
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antifungals
Cell membrane function inhibitor
Echinocandin
D11197 Rezafungin (USAN/INN)
|
|---|
| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 88
1 C1c C 17.4300 -12.1100
2 C5a C 17.4300 -13.5100
3 O5a O 14.9800 -13.5100
4 C5a C 14.9800 -12.1100
5 N1b N 16.2400 -11.4100
6 C5a C 12.6000 -13.5100
7 N1b N 12.6000 -12.1100
8 C1c C 13.7900 -11.4100
9 C5a C 12.6000 -16.3100
10 N1y N 11.3400 -15.6100
11 C1y C 11.3400 -14.2100
12 N1b N 13.7900 -18.4100
13 C1c C 12.6000 -17.7100
14 N1y N 18.6200 -14.2100
15 C1y C 18.6200 -15.6100
16 C5a C 17.4300 -16.3100
17 O5a O 13.7900 -14.2100
18 O5a O 16.2400 -14.2100
19 O5a O 16.2400 -15.6100
20 O5a O 13.7900 -15.6100
21 C1c C 11.4100 -18.4100
22 C5a C 13.7900 -19.8100
23 C1c C 14.9800 -20.5100
24 O5a O 12.6000 -20.5100
25 C1b C 16.1700 -19.8100
26 C1c C 17.3600 -20.5100
27 C1c C 18.5500 -19.2500
28 C1c C 13.7900 -10.0100
29 C1c C 12.6000 -9.3100
30 C8y C 11.4100 -10.0100
31 C8x C 11.4100 -11.4100
32 C8x C 10.1500 -12.1100
33 C8y C 8.9600 -11.4100
34 C8x C 8.9600 -10.0100
35 C8x C 10.1500 -9.3100
36 O1a O 7.7700 -12.1100
37 O1a O 12.6000 -7.9100
38 O1a O 14.9800 -9.3100
39 C1x C 10.0100 -16.0300
40 C1y C 9.2400 -14.9100
41 C1x C 10.0100 -13.7900
42 O1a O 7.8400 -14.9100
43 C1a C 10.2200 -17.7100
44 O1a O 11.4100 -19.8100
45 N1b N 14.9800 -21.9100
46 O1a O 17.3600 -21.9100
47 C1c C 18.6200 -11.4100
48 C1a C 19.8100 -12.1100
49 O1a O 18.6200 -10.0100
50 C1x C 19.9500 -13.7900
51 C1y C 20.7900 -14.9100
52 C1y C 19.9500 -16.0300
53 C1a C 22.1900 -14.9100
54 O1a O 20.3700 -17.3600
55 N1b N 17.4300 -17.7100
56 O2a O 19.9500 -19.2500
57 C1b C 20.6500 -20.5100
58 C1b C 22.0500 -20.5100
59 N1d N 22.7500 -21.7000 #+
60 C1a C 24.1500 -21.7000
61 C1a C 22.0500 -22.9600
62 C1a C 23.4500 -22.8900
63 C5a C 13.7900 -22.6100
64 O5a O 12.6000 -21.9100
65 C8y C 13.7900 -24.0100
66 C8x C 14.9800 -24.7100
67 C8x C 14.9800 -26.1100
68 C8y C 13.7900 -26.8100
69 C8x C 12.5300 -26.1100
70 C8x C 12.5300 -24.7100
71 C8y C 13.7900 -28.2100
72 C8x C 14.9800 -28.9100
73 C8x C 14.9800 -30.3100
74 C8y C 13.7900 -31.0100
75 C8x C 12.6000 -30.3100
76 C8x C 12.6000 -28.9100
77 C8y C 13.7900 -32.4100
78 C8x C 14.9800 -33.1100
79 C8x C 14.9800 -34.5100
80 C8y C 13.7900 -35.2100
81 C8x C 12.6000 -34.5100
82 C8x C 12.6000 -33.1100
83 O2a O 13.7900 -36.6100
84 C1b C 12.6000 -37.3100
85 C1b C 11.4100 -36.6100
86 C1b C 10.2200 -37.3100
87 C1b C 9.0300 -36.6100
88 C1a C 7.8400 -37.3100
BOND 94
1 1 2 1
2 3 4 2
3 4 5 1
4 1 5 1
5 6 7 1
6 7 8 1
7 4 8 1
8 9 10 1
9 10 11 1
10 6 11 1
11 12 13 1
12 9 13 1
13 2 14 1
14 14 15 1
15 15 16 1
16 6 17 2
17 2 18 2
18 16 19 2
19 9 20 2
20 13 21 1
21 12 22 1
22 22 23 1
23 22 24 2
24 23 25 1
25 25 26 1
26 26 27 1
27 8 28 1
28 28 29 1
29 29 30 1
30 30 31 2
31 31 32 1
32 32 33 2
33 33 34 1
34 34 35 2
35 30 35 1
36 33 36 1
37 29 37 1 #Down
38 28 38 1 #Up
39 10 39 1
40 39 40 1
41 40 41 1
42 11 41 1
43 40 42 1 #Down
44 21 43 1
45 21 44 1 #Down
46 23 45 1 #Down
47 1 47 1
48 47 48 1
49 47 49 1 #Down
50 14 50 1
51 50 51 1
52 51 52 1
53 15 52 1
54 51 53 1 #Down
55 52 54 1 #Down
56 16 55 1
57 55 27 1
58 27 56 1 #Up
59 56 57 1
60 26 46 1 #Down
61 57 58 1
62 58 59 1
63 59 60 1
64 59 61 1
65 59 62 1
66 45 63 1
67 63 64 2
68 63 65 1
69 65 66 2
70 66 67 1
71 67 68 2
72 68 69 1
73 69 70 2
74 65 70 1
75 68 71 1
76 71 72 2
77 72 73 1
78 73 74 2
79 74 75 1
80 75 76 2
81 71 76 1
82 74 77 1
83 77 78 2
84 78 79 1
85 79 80 2
86 80 81 1
87 81 82 2
88 77 82 1
89 80 83 1
90 83 84 1
91 84 85 1
92 85 86 1
93 86 87 1
94 87 88 1
|
|---|
