| Entry |
|
|---|
| Name |
Grazoprevir (USAN/INN);
Grazoprevir anhydrous |
|---|
| Formula |
C38H50N6O9S
|
|---|
| Exact mass |
766.3360
|
|---|
| Mol weight |
766.90
|
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| Structure |
|
|---|
| 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]
|
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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
J05AP Antivirals for treatment of HCV infections
J05AP11 Grazoprevir
D11565 Grazoprevir (USAN/INN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG02001 HCV NS3/4A protease inhibitor
DG03051 Grazoprevir
D11565 Grazoprevir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG03051 Grazoprevir
D11565 Grazoprevir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG03051 Grazoprevir
D11565 Grazoprevir
Transporter substrate
DG01665 ABCB1 substrate
DG03051 Grazoprevir
D11565 Grazoprevir
DG02856 SLCO1B1 substrate
DG03051 Grazoprevir
D11565 Grazoprevir
Transporter inhibitor
DG02862 ABCG2 inhibitor
DG03051 Grazoprevir
D11565 Grazoprevir
Antimicrobials [BR:br08307]
Antivirals
Polyprotein cleavage inhibitor
HCV NS3/4A inhibitor
D11565 Grazoprevir (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11565
Drug transporters
D11565
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
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 54
1 C1y C 10.6505 -12.1920
2 C1y C 10.6505 -13.5934
3 O7x O 11.8417 -14.2941
4 C1x C 13.1029 -12.1920
5 C1x C 11.8417 -11.4914
6 C1x C 15.4853 -12.1920
7 C1x C 14.2941 -11.4914
8 O2x O 16.7465 -14.2941
9 C8y C 17.9377 -13.5934
10 C8y C 17.9377 -12.1920
11 C1x C 16.7465 -11.4914
12 N5x N 19.1289 -14.2941
13 C8y C 20.3901 -13.5934
14 C8y C 20.3901 -12.1920
15 N5x N 19.1289 -11.4914
16 C8x C 21.5813 -14.2941
17 C8y C 22.7725 -13.5934
18 C8x C 22.7725 -12.1920
19 C8x C 21.5813 -11.4914
20 C1x C 9.4593 -12.8927
21 C7x C 11.8417 -15.6955
22 O6a O 10.5805 -16.3962
23 C1d C 11.7716 -18.4983
24 C1y C 13.0329 -17.7976
25 N1x N 13.0329 -16.3962
26 C1a C 10.5805 -17.7976
27 C1a C 11.7716 -19.8997
28 C1a C 10.5805 -19.1990
29 C5x C 14.2241 -18.4983
30 O5x O 14.2241 -19.8997
31 C1y C 16.7465 -16.0459
32 C1x C 15.4152 -16.4663
33 N1y N 15.4152 -17.8677
34 C1y C 16.7465 -18.2881
35 C1x C 17.5874 -17.1670
36 O2a O 23.9637 -14.2941
37 C1a C 25.1549 -13.5934
38 C1z C 20.4602 -19.0588
39 C5a C 21.6514 -18.3581
40 N1b N 22.8426 -19.1289
41 O5a O 21.6514 -16.8867
42 C1x C 19.7595 -20.1799
43 C1y C 21.0908 -20.1799
44 S4a S 24.2440 -18.4282
45 C1y C 25.3651 -19.1990
46 O3c O 24.8746 -17.2370
47 O3c O 23.4732 -17.2370
48 C1x C 26.0658 -20.3901
49 C1x C 26.8365 -19.2690
50 C5a C 17.9377 -19.0588
51 N1b N 19.2690 -18.4983
52 O5a O 17.9377 -20.3901
53 C2b C 22.2820 -20.8806
54 C2a C 23.4732 -20.1799
BOND 60
1 1 2 1
2 2 3 1 #Down
3 4 5 1
4 1 5 1 #Up
5 6 7 1
6 4 7 1
7 8 9 1
8 9 10 1
9 10 11 1
10 6 11 1
11 9 12 2
12 12 13 1
13 13 14 2
14 14 15 1
15 10 15 2
16 13 16 1
17 16 17 2
18 17 18 1
19 18 19 2
20 14 19 1
21 20 2 1
22 1 20 1
23 3 21 1
24 21 22 2
25 24 23 1 #Down
26 24 25 1
27 21 25 1
28 23 26 1
29 23 27 1
30 23 28 1
31 24 29 1
32 29 30 2
33 31 8 1 #Down
34 32 33 1
35 33 34 1
36 34 35 1
37 35 31 1
38 31 32 1
39 29 33 1
40 17 36 1
41 36 37 1
42 38 39 1 #Down
43 39 40 1
44 39 41 2
45 38 42 1
46 38 43 1
47 42 43 1
48 40 44 1
49 44 45 1
50 44 46 2
51 44 47 2
52 45 48 1
53 45 49 1
54 49 48 1
55 50 51 1
56 50 52 2
57 38 51 1 #Up
58 34 50 1 #Up
59 43 53 1 #Down
60 53 54 2
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