| Entry |
|
|---|
| Name |
Grazoprevir (USAN);
Grazoprevir hydrate (JAN);
Grazyna (TN) |
|---|
| Formula |
C38H50N6O9S. H2O
|
|---|
| Exact mass |
784.3466
|
|---|
| Mol weight |
784.92
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
Transporter substrate
DG01665 ABCB1 substrate
DG02856 SLCO1B1 substrate
Transporter inhibitor
DG02862 ABCG2 inhibitor
|
|---|
| Remark |
| Product (mixture): | D10778<US> |
|
|---|
| Efficacy |
Antiviral, Protease inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
|
|---|
| Interaction |
CYP inhibition: CYP3A [HSA: 1576 1577 1551]
Transporter inhibition: ABCG2 [HSA: 9429]
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J05 ANTIVIRALS FOR SYSTEMIC USE
J05A DIRECT ACTING ANTIVIRALS
J05AP Antivirals for treatment of HCV infections
J05AP11 Grazoprevir
D10639 Grazoprevir (USAN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
DG03051 Grazoprevir
D10639 Grazoprevir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG03051 Grazoprevir
D10639 Grazoprevir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG03051 Grazoprevir
D10639 Grazoprevir
Transporter substrate
DG01665 ABCB1 substrate
DG03051 Grazoprevir
D10639 Grazoprevir
DG02856 SLCO1B1 substrate
DG03051 Grazoprevir
D10639 Grazoprevir
Transporter inhibitor
DG02862 ABCG2 inhibitor
DG03051 Grazoprevir
D10639 Grazoprevir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
D10639 Grazoprevir (USAN)
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10639
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10639
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10639
Drug transporters
D10639
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
DG03051 Grazoprevir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG03051 Grazoprevir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG03051 Grazoprevir
Transporter substrate
DG01665 ABCB1 substrate
DG03051 Grazoprevir
DG02856 SLCO1B1 substrate
DG03051 Grazoprevir
Transporter inhibitor
DG02862 ABCG2 inhibitor
DG03051 Grazoprevir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
DG03051 Grazoprevir
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 55
1 O0 O 54.7075 -16.5767
2 C1y C 37.5744 -13.2196
3 C1y C 37.5744 -14.6186
4 O7x O 38.7636 -15.3181
5 C1x C 40.0227 -13.2196
6 C1x C 38.7636 -12.5201
7 C1x C 42.4010 -13.2196
8 C1x C 41.2118 -12.5201
9 O2x O 43.6601 -15.3181
10 C8y C 44.8493 -14.6186
11 C8y C 44.8493 -13.2196
12 C1x C 43.6601 -12.5201
13 N5x N 46.0384 -15.3181
14 C8y C 47.2975 -14.6186
15 C8y C 47.2975 -13.2196
16 N5x N 46.0384 -12.5201
17 C8x C 48.4867 -15.3181
18 C8y C 49.6759 -14.6186
19 C8x C 49.6759 -13.2196
20 C8x C 48.4867 -12.5201
21 C1x C 36.3852 -13.9191
22 C7x C 38.7636 -16.7171
23 O6a O 37.5044 -17.4166
24 C1d C 38.6936 -19.5151
25 C1y C 39.9527 -18.8156
26 N1x N 39.9527 -17.4166
27 C1a C 37.5044 -18.8156
28 C1a C 38.6936 -20.9141
29 C1a C 37.5044 -20.2146
30 C5x C 41.1419 -19.5151
31 O5x O 41.1419 -20.9141
32 C1y C 43.6601 -17.0669
33 C1x C 42.3310 -17.4866
34 N1y N 42.3310 -18.8856
35 C1y C 43.6601 -19.3053
36 C1x C 44.4995 -18.1861
37 O2a O 50.8650 -15.3181
38 C1a C 52.0542 -14.6186
39 C1z C 47.3675 -20.0747
40 C5a C 48.5567 -19.3752
41 N1b N 49.7458 -20.1447
42 O5a O 48.5567 -17.9063
43 C1x C 46.6680 -21.2639
44 C1y C 47.9971 -21.2639
45 S4a S 51.1448 -19.4452
46 C1y C 52.2901 -20.2698
47 O3c O 51.7744 -18.2560
48 O3c O 50.3754 -18.2560
49 C1x C 52.9667 -21.4137
50 C1x C 53.7655 -20.2910
51 C5a C 44.8493 -20.0747
52 N1b N 46.1783 -19.5151
53 O5a O 44.8493 -21.4737
54 C2b C 49.1862 -21.9634
55 C2a C 50.3754 -21.2639
BOND 60
1 2 3 1
2 3 4 1 #Down
3 5 6 1
4 2 6 1 #Up
5 7 8 1
6 5 8 1
7 9 10 1
8 10 11 1
9 11 12 1
10 7 12 1
11 10 13 2
12 13 14 1
13 14 15 2
14 15 16 1
15 11 16 2
16 14 17 1
17 17 18 2
18 18 19 1
19 19 20 2
20 15 20 1
21 21 3 1
22 2 21 1
23 4 22 1
24 22 23 2
25 25 24 1 #Down
26 25 26 1
27 22 26 1
28 24 27 1
29 24 28 1
30 24 29 1
31 25 30 1
32 30 31 2
33 32 9 1 #Down
34 33 34 1
35 34 35 1
36 35 36 1
37 36 32 1
38 32 33 1
39 30 34 1
40 18 37 1
41 37 38 1
42 39 40 1 #Down
43 40 41 1
44 40 42 2
45 39 43 1
46 39 44 1
47 43 44 1
48 41 45 1
49 45 46 1
50 45 47 2
51 45 48 2
52 46 49 1
53 46 50 1
54 50 49 1
55 51 52 1
56 51 53 2
57 39 52 1 #Up
58 35 51 1 #Up
59 44 54 1 #Down
60 54 55 2
|
|---|
