| Entry |
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| Name |
Isavuconazonium sulfate (JAN/USAN);
Cresemba (TN) |
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| Product |
|
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| Formula |
C35H35F2N8O5S. HSO4
|
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| Exact mass |
814.2015
|
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| Mol weight |
814.8353
|
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| Structure |
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| Simcomp |
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| Class |
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
Metabolizing enzyme inducer
DG02891 CYP2B6 inducer
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG02863 SLC22A2 inhibitor
DG02864 SLC47A1 inhibitor
Unclassified
DG03251 UGT inhibitor
|
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| Remark |
| Therapeutic category: | 6179 |
| Product (DG01840): | D10643<JP/US> |
|
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| Efficacy |
Antifungal |
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| Disease |
Invasive aspergillosis [DS: H01328] Invasive mucormycosis [DS: H02033] |
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| Comment |
Triazole derivative
Active form of prodrug: Isavuconazole [DR: D10750]
|
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| Target |
sterol 14alpha-demethylase [KO: K05917] |
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| Metabolism |
|
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| Interaction |
CYP inhibition: CYP3A [HSA: 1576 1577 1551]
Transporter inhibition: ABCB1 [HSA: 5243], SLC22A2 [HSA: 6582], SLC47A1 [hsa: 55244]
Enzyme inhibition: UGT [KO: K00699]
CYP induction: CYP2B6 [HSA: 1555]
|
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| Brite |
USP drug classification [BR:br08302]
Antifungals
Isavuconazonium
D10643 Isavuconazonium sulfate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
6 Agents against pathologic organisms and parasites
61 Antibiotics
617 Acting mainly on mold
6179 Others
D10643 Isavuconazonium sulfate (JAN/USAN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG01840 Isavuconazonium
D10643 Isavuconazonium sulfate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01840 Isavuconazonium
D10643 Isavuconazonium sulfate
Metabolizing enzyme inducer
DG02891 CYP2B6 inducer
DG01840 Isavuconazonium
D10643 Isavuconazonium sulfate
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG01840 Isavuconazonium
D10643 Isavuconazonium sulfate
DG02863 SLC22A2 inhibitor
DG01840 Isavuconazonium
D10643 Isavuconazonium sulfate
DG02864 SLC47A1 inhibitor
DG01840 Isavuconazonium
D10643 Isavuconazonium sulfate
Unclassified
DG03251 UGT inhibitor
DG01840 Isavuconazonium
D10643 Isavuconazonium sulfate
Antimicrobials [BR:br08307]
Antifungals
Ergosterol biosynthesis inhibitor
Triazole
D10643 Isavuconazonium sulfate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10643
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D10643
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10643
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10643
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10643
Drug transporters
D10643
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG01840 Isavuconazonium
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01840 Isavuconazonium
Metabolizing enzyme inducer
DG02891 CYP2B6 inducer
DG01840 Isavuconazonium
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG01840 Isavuconazonium
DG02863 SLC22A2 inhibitor
DG01840 Isavuconazonium
DG02864 SLC47A1 inhibitor
DG01840 Isavuconazonium
Unclassified
DG03251 UGT inhibitor
DG01840 Isavuconazonium
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 56
1 S4a S 28.2812 -20.1706
2 O1d O 28.2812 -18.7697
3 O1d O 28.2812 -21.5715
4 O1d O 29.6821 -20.1706
5 O1d O 26.8803 -20.1706 #-
6 C8y C 15.8200 -18.6200
7 C1c C 17.0100 -17.9200
8 C1d C 18.2700 -18.6200
9 C1a C 17.0100 -16.5200
10 S2x S 15.4000 -19.9500
11 C8x C 14.0000 -19.9500
12 C8y C 13.5800 -18.6200
13 N5x N 14.7000 -17.7800
14 C8x C 9.9400 -17.9200
15 C8y C 9.9400 -16.5200
16 C8x C 11.1300 -15.8200
17 C8x C 12.3900 -16.5200
18 C8y C 12.3900 -17.9200
19 C8x C 11.1300 -18.6200
20 C3b C 8.7500 -15.8200
21 N3a N 7.5600 -15.1200
22 C8y C 18.2700 -20.0200
23 C1b C 19.4600 -17.9200
24 N4y N 19.4600 -16.5200
25 N5x N 18.3400 -15.7500
26 C8x C 18.7600 -14.4200
27 N5y N 20.1600 -14.4200 #+
28 C8x C 20.5800 -15.6800
29 C8y C 19.5300 -20.7200
30 C8x C 19.5300 -22.1200
31 C8x C 18.3400 -22.8200
32 C8y C 17.0800 -22.1200
33 C8x C 17.0800 -20.7200
34 X F 20.6500 -20.0900
35 X F 15.7500 -22.8900
36 O1a O 17.0800 -19.3200
37 C8x C 27.5800 -10.0100
38 C8x C 27.0200 -8.7500
39 C8x C 25.6200 -8.6800
40 N5x N 24.7800 -9.8700
41 C8y C 25.4100 -11.2000
42 C8y C 26.8800 -11.2000
43 C1b C 27.5100 -12.4600
44 O7a O 28.8400 -12.4600
45 C7a C 29.5400 -13.7900
46 C1b C 30.9400 -13.7900
47 N1b N 31.5700 -15.1200
48 C1a C 32.9700 -15.1200
49 O6a O 28.8400 -14.9100
50 N1c N 24.7100 -12.2500
51 C7a C 23.3100 -12.2500
52 O6a O 22.6800 -10.9900
53 C1a C 25.3400 -13.5800
54 O7a O 22.6100 -13.3700
55 C1c C 21.1400 -13.3700
56 C1a C 20.5100 -12.1800
BOND 59
1 1 2 2
2 1 3 2
3 1 4 1
4 1 5 1
5 6 7 1
6 7 8 1
7 7 9 1 #Down
8 10 11 1
9 11 12 2
10 12 13 1
11 13 6 2
12 10 6 1
13 14 15 2
14 15 16 1
15 16 17 2
16 17 18 1
17 18 19 2
18 14 19 1
19 18 12 1
20 15 20 1
21 20 21 3
22 8 22 1
23 8 23 1
24 23 24 1
25 24 25 1
26 25 26 2
27 26 27 1
28 27 28 2
29 24 28 1
30 22 29 2
31 29 30 1
32 30 31 2
33 31 32 1
34 32 33 2
35 22 33 1
36 29 34 1
37 32 35 1
38 8 36 1 #Up
39 37 38 1
40 38 39 2
41 39 40 1
42 40 41 2
43 41 42 1
44 37 42 2
45 42 43 1
46 43 44 1
47 44 45 1
48 45 46 1
49 46 47 1
50 47 48 1
51 45 49 2
52 41 50 1
53 50 51 1
54 51 52 2
55 50 53 1
56 51 54 1
57 54 55 1
58 55 56 1
59 27 55 1
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