| Entry |
|
|---|
| Name |
Ensitrelvir fumarate (USAN);
Ensitrelvir fumaric acid (JAN);
Xocova (TN) |
|---|
| Formula |
C22H17ClF3N9O2. C4H4O4
|
|---|
| Exact mass |
647.1255
|
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| Mol weight |
647.95
|
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| Structure |
|
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| Class |
Antiviral
DG03174 Anti-SARS-CoV-2 agent
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG02862 ABCG2 inhibitor
DG02865 SLCO1B1 inhibitor
DG02907 SLCO1B3 inhibitor
|
|---|
| Remark |
| Therapeutic category: | 6250 |
| Product (DG03269): | D12353<JP> |
|
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| Efficacy |
Antiviral |
|---|
| Comment |
Treatment of SARS-CoV-2 infection
|
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| Target |
SARS coronavirus 3C-like proteinase [KO: K25015] |
|---|
| Pathway |
| ko05171 | Coronavirus disease - COVID-19 |
|
|---|
| Metabolism |
|
|---|
| Interaction |
CYP inhibition: CYP3A [HSA: 1576 1577 1551]
Transporter inhibition: ABCB1 [HSA: 5243], ABCG2 [HSA: 9429], SLCO1B1 [HSA: 10599], SLCO1B3 [HSA: 28234]
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J05 ANTIVIRALS FOR SYSTEMIC USE
J05A DIRECT ACTING ANTIVIRALS
J05AE Protease inhibitors
J05AE16 Ensitrelvir
D12353 Ensitrelvir fumarate (USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
6 Agents against pathologic organisms and parasites
62 Chemotherapeutics
625 Antivirals
6250 Antivirals
D12353 Ensitrelvir fumarate (USAN); Ensitrelvir fumaric acid (JAN)
Drug groups [BR:br08330]
Antiviral
DG03174 Anti-SARS-CoV-2 agent
DG03269 Ensitrelvir
D12353 Ensitrelvir fumarate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG03269 Ensitrelvir
D12353 Ensitrelvir fumarate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG03269 Ensitrelvir
D12353 Ensitrelvir fumarate
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG03269 Ensitrelvir
D12353 Ensitrelvir fumarate
DG02862 ABCG2 inhibitor
DG03269 Ensitrelvir
D12353 Ensitrelvir fumarate
DG02865 SLCO1B1 inhibitor
DG03269 Ensitrelvir
D12353 Ensitrelvir fumarate
DG02907 SLCO1B3 inhibitor
DG03269 Ensitrelvir
D12353 Ensitrelvir fumarate
Drug classes [BR:br08332]
Antiviral
DG03174 Anti-SARS-CoV-2 agent
D12353 Ensitrelvir fumarate
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
SARS-CoV 3C protease inhibitor
D12353 Ensitrelvir fumarate (USAN) <JP>
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D12353
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D12353
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D12353
Drug transporters
D12353
Drug groups [BR:br08330]
Antiviral
DG03174 Anti-SARS-CoV-2 agent
DG03269 Ensitrelvir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG03269 Ensitrelvir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG03269 Ensitrelvir
Transporter inhibitor
DG01622 ABCB1 inhibitor
DG03269 Ensitrelvir
DG02862 ABCG2 inhibitor
DG03269 Ensitrelvir
DG02865 SLCO1B1 inhibitor
DG03269 Ensitrelvir
DG02907 SLCO1B3 inhibitor
DG03269 Ensitrelvir
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 45
1 N4y N 19.4600 -11.4800
2 C8y C 19.4600 -12.8800
3 N4y N 20.6724 -13.5800
4 C8y C 21.8849 -12.8800
5 N4x N 21.8849 -11.4800
6 C8y C 20.6724 -10.7800
7 O5x O 20.6724 -9.3802
8 O5x O 18.2476 -13.5800
9 N2b N 23.1160 -13.5910
10 C1b C 20.6724 -14.9798
11 C8y C 19.4432 -15.6897
12 C8x C 18.2392 -14.9946
13 C8y C 17.0268 -15.6946
14 C8y C 17.0269 -17.0946
15 C8x C 18.2308 -17.7897
16 C8y C 19.4432 -17.0897
17 X F 15.7954 -14.9838
18 X F 20.6639 -17.7945
19 X F 15.8083 -17.7983
20 C1b C 18.2476 -10.7800
21 C8y C 17.0521 -11.4704
22 N5x N 15.7297 -11.1102
23 N4y N 14.9748 -12.2541
24 C8x C 15.8294 -13.3256
25 N5x N 17.1126 -12.8439
26 C1a C 13.5816 -12.2468
27 C8y C 24.3212 -12.8953
28 C8x C 25.5035 -13.5781
29 C8y C 26.7160 -12.8783
30 C8y C 26.7162 -11.4783
31 C8x C 25.5338 -10.7955
32 C8y C 24.3213 -11.4953
33 X Cl 23.0789 -10.7778
34 C8x C 28.0475 -13.3110
35 N4y N 28.8705 -12.1785
36 N5x N 28.0477 -11.0458
37 C1a C 30.2400 -12.1787
38 C6a C 30.8000 -16.0300
39 C2b C 32.0124 -16.7300
40 O6a O 29.5876 -16.7300
41 O6a O 30.8000 -14.6300
42 C2b C 33.2079 -16.0396
43 C6a C 34.3953 -16.7251
44 O6a O 35.5865 -16.0371
45 O6a O 34.3955 -18.1298
BOND 48
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 6 7 2
8 2 8 2
9 4 9 2
10 3 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 13 17 1
19 16 18 1
20 14 19 1
21 1 20 1
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 1
26 24 25 2
27 21 25 1
28 23 26 1
29 9 27 1
30 27 28 2
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 2
35 27 32 1
36 32 33 1
37 29 34 2
38 34 35 1
39 35 36 1
40 30 36 2
41 35 37 1
42 38 39 1
43 38 40 1
44 38 41 2
45 39 42 2
46 42 43 1
47 43 44 1
48 43 45 2
|
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