| Entry |
|
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| Name |
Daclatasvir (USAN) |
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| Formula |
C40H50N8O6
|
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| Exact mass |
738.3853
|
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| Mol weight |
738.875
|
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| Structure |
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| Simcomp |
|
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| Class |
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG02887 UGT1A1 inhibitor
Transporter substrate
DG01665 ABCB1 substrate
|
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| Remark |
|
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| Efficacy |
Antiviral, NS5A inhibitor |
|---|
| Comment |
Treatment of hepatitis C
|
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| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
|
|---|
| Interaction |
CYP inhibition: CYP3A [HSA: 1576 1577 1551]
Enzyme inhibition: UGT1A1 [HSA: 54658]
|
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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
J05AP07 Daclatasvir
D10065 Daclatasvir (USAN)
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
DG01669 Daclatasvir
D10065 Daclatasvir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01669 Daclatasvir
D10065 Daclatasvir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01669 Daclatasvir
D10065 Daclatasvir
DG02887 UGT1A1 inhibitor
DG01669 Daclatasvir
D10065 Daclatasvir
Transporter substrate
DG01665 ABCB1 substrate
DG01669 Daclatasvir
D10065 Daclatasvir
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D10065 Daclatasvir (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10065
Drug transporters
D10065
Drug groups [BR:br08330]
Antiviral
DG03198 Anti-HCV agent
DG01999 HCV NS5A inhibitor
DG01669 Daclatasvir
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01669 Daclatasvir
Metabolizing enzyme inhibitor
DG02852 CYP3A/CYP3A4 inhibitor
DG01669 Daclatasvir
DG02887 UGT1A1 inhibitor
DG01669 Daclatasvir
Transporter substrate
DG01665 ABCB1 substrate
DG01669 Daclatasvir
Antimicrobials abbreviations [BR:br08327]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
DG01669 Daclatasvir
|
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| Other DBs |
|
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| KCF data |
ATOM 54
1 C8x C 19.8800 -21.7700
2 C8y C 19.8800 -23.1700
3 C8x C 21.0700 -23.8700
4 C8x C 22.3300 -23.1700
5 C8y C 22.3300 -21.7700
6 C8x C 21.0700 -21.0700
7 C8y C 23.5200 -21.0700
8 C8x C 24.7100 -21.7700
9 C8x C 25.9700 -21.0700
10 C8y C 25.9700 -19.6700
11 C8x C 24.7800 -18.9700
12 C8x C 23.5200 -19.6700
13 C8y C 18.6900 -23.8700
14 C8x C 17.3600 -23.4500
15 N5x N 16.5200 -24.5700
16 C8y C 17.3600 -25.6900
17 N4x N 18.6900 -25.2700
18 C8y C 27.1600 -18.9700
19 C8x C 28.4900 -19.3900
20 N5x N 29.3300 -18.2000
21 C8y C 28.4900 -17.0800
22 N4x N 27.1600 -17.5700
23 C1y C 28.9100 -15.7500
24 N1y N 30.2400 -15.3300
25 C1x C 30.2400 -13.9300
26 C1x C 28.9100 -13.5100
27 C1x C 28.0700 -14.6300
28 C5a C 31.4300 -16.0300
29 O5a O 32.6200 -15.3300
30 C1c C 31.4300 -17.4300
31 N1b N 30.2400 -18.1300
32 C1c C 32.6200 -18.1300
33 C7a C 30.2400 -19.5300
34 O7a O 29.0500 -20.2300
35 O6a O 31.4300 -20.2300
36 C1a C 29.0500 -21.6300
37 C1a C 33.8100 -17.4300
38 C1a C 32.6200 -19.5300
39 C1y C 16.9400 -27.0200
40 N1y N 15.6100 -27.4400
41 C1x C 15.6100 -28.8400
42 C1x C 16.9400 -29.2600
43 C1x C 17.7800 -28.1400
44 C5a C 14.4200 -26.7400
45 O5a O 13.2300 -27.4400
46 C1c C 14.4200 -25.3400
47 C1c C 13.2076 -24.6400
48 N1b N 15.6324 -24.6400
49 C7a C 15.6324 -23.2400
50 O7a O 16.8279 -22.5496
51 O6a O 14.4033 -22.5302
52 C1a C 16.8279 -21.1496
53 C1a C 12.0121 -25.3304
54 C1a C 13.2075 -23.2402
BOND 59
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 2 13 1
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 13 17 1
20 10 18 1
21 18 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 18 22 1
26 23 21 1 #Down
27 23 24 1
28 24 25 1
29 25 26 1
30 26 27 1
31 23 27 1
32 24 28 1
33 28 29 2
34 28 30 1
35 30 31 1
36 30 32 1 #Down
37 31 33 1
38 33 34 1
39 33 35 2
40 34 36 1
41 32 37 1
42 32 38 1
43 39 16 1 #Down
44 39 40 1
45 40 41 1
46 41 42 1
47 42 43 1
48 39 43 1
49 44 40 1
50 44 45 2
51 44 46 1
52 46 47 1 #Down
53 46 48 1
54 48 49 1
55 49 50 1
56 49 51 2
57 50 52 1
58 47 53 1
59 47 54 1
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