| Entry |
|
|---|
| Name |
Isavuconazole (INN);
Cresemba (TN) |
|---|
| Abbr |
ISA |
|---|
| Formula |
C22H17F2N5OS
|
|---|
| Exact mass |
437.1122
|
|---|
| Mol weight |
437.4651
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antifungal
DG01523 Triazole antifungal
|
|---|
| Remark |
|
|---|
| Efficacy |
Antifungal |
|---|
| Target |
sterol 14alpha-demethylase [KO: K05917] |
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J02 ANTIMYCOTICS FOR SYSTEMIC USE
J02A ANTIMYCOTICS FOR SYSTEMIC USE
J02AC Triazole and tetrazole derivatives
J02AC05 Isavuconazole
D10750 Isavuconazole (INN)
Drug groups [BR:br08330]
Antifungal
DG01523 Triazole antifungal
D10750 Isavuconazole
Antimicrobials [BR:br08307]
Antifungals
Ergosterol biosynthesis inhibitor
Triazole
D10750 Isavuconazole (INN)
Antimicrobials abbreviations [BR:br08327]
Antifungals
Ergosterol biosynthesis inhibitor
Triazole
D10750 Isavuconazole (INN)
|
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| Other DBs |
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| LinkDB |
|
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| KCF data |
ATOM 31
1 C8y C 20.1213 -17.2619
2 C1c C 21.3139 -16.5604
3 C1d C 22.5767 -17.2619
4 C1a C 21.3139 -15.1573
5 S2x S 19.7004 -18.5949
6 C8x C 18.2973 -18.5949
7 C8y C 17.8764 -17.2619
8 N5x N 18.9988 -16.4201
9 C8x C 14.2283 -16.5604
10 C8y C 14.2283 -15.1573
11 C8x C 15.4210 -14.4558
12 C8x C 16.6837 -15.1573
13 C8y C 16.6837 -16.5604
14 C8x C 15.4210 -17.2619
15 C3b C 13.0357 -14.4558
16 N3a N 11.8431 -13.7542
17 C8y C 22.5767 -18.6650
18 C1b C 23.7693 -16.5604
19 N4y N 23.7693 -15.1573
20 N5x N 22.6469 -14.3856
21 C8x C 23.0678 -13.0527
22 N5x N 24.4709 -13.0527
23 C8x C 24.8918 -14.3155
24 C8y C 23.8395 -19.3666
25 C8x C 23.8395 -20.7696
26 C8x C 22.6469 -21.4712
27 C8y C 21.3841 -20.7696
28 C8x C 21.3841 -19.3666
29 X F 24.9619 -18.7352
30 X F 20.0511 -21.5413
31 O1a O 23.8591 -17.7519
BOND 34
1 1 2 1
2 2 3 1
3 2 4 1 #Down
4 5 6 1
5 6 7 2
6 7 8 1
7 8 1 2
8 5 1 1
9 9 10 2
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 2
14 9 14 1
15 13 7 1
16 10 15 1
17 15 16 3
18 3 17 1
19 3 18 1
20 18 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 19 23 1
26 17 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 27 28 2
31 17 28 1
32 24 29 1
33 27 30 1
34 3 31 1 #Up
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