| Entry |
|
|---|
| Name |
Daclatasvir dihydrochloride (USAN);
Daclatasvir hydrochloride (JAN);
Daklinza (TN) |
|---|
| Formula |
C40H50N8O6. 2HCl
|
|---|
| Exact mass |
810.3387
|
|---|
| Mol weight |
811.7969
|
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| Structure |
|
|---|
| Simcomp |
|
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| Class |
Antiviral
DG01999 NS5A inhibitor
Metabolizing enzyme substrate
DG02913 CYP3A4 substrate
Metabolizing enzyme inhibitor
DG02852 CYP3A inhibitor
DG02887 UGT inhibitor
Transporter substrate
DG01665 ABCB1 (P-GP) substrate
|
|---|
| Remark |
| Therapeutic category: | 6250 |
| Product (DG01669): | D10105<JP> |
|
|---|
| Efficacy |
Antiviral, NS5A inhibitor |
|---|
| Disease |
Chronic hepatitis C virus infection [DS: H00413] |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| 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
D10105 Daclatasvir dihydrochloride (USAN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
6 Agents against pathologic organisms and parasites
62 Chemotherapeutics
625 Antivirals
6250 Antivirals
D10105 Daclatasvir dihydrochloride (USAN); Daclatasvir hydrochloride (JAN)
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10105
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D10105
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10105
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10105
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10105
Drug transporters
D10105
Pharmacogenomic biomarkers [br08341.html]
Polymorphisms and mutations affecting drug response
D10105
|
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| Other DBs |
|
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| KCF data |
ATOM 56
1 C8x C 21.4200 -21.4900
2 C8y C 21.4200 -22.8900
3 C8x C 22.6100 -23.5900
4 C8x C 23.8700 -22.8900
5 C8y C 23.8700 -21.4900
6 C8x C 22.6100 -20.7900
7 C8y C 25.0600 -20.7900
8 C8x C 26.3200 -21.4900
9 C8x C 27.5800 -20.7900
10 C8y C 27.5800 -19.3900
11 C8x C 26.3900 -18.6900
12 C8x C 25.0600 -19.3900
13 C8y C 20.2300 -23.5900
14 C8x C 18.9000 -23.1700
15 N5x N 18.0600 -24.3600
16 C8y C 18.9000 -25.4800
17 N4x N 20.2300 -25.0600
18 C8y C 28.7700 -18.6900
19 C8x C 30.1000 -19.1100
20 N5x N 30.9400 -17.9200
21 C8y C 30.1000 -16.8000
22 N4x N 28.7700 -17.2900
23 C1y C 30.5200 -15.4700
24 N1y N 31.8500 -15.0500
25 C1x C 31.8500 -13.6500
26 C1x C 30.5200 -13.2300
27 C1x C 29.6800 -14.3500
28 C5a C 33.0400 -15.7500
29 O5a O 34.2300 -15.0500
30 C1c C 33.0400 -17.1500
31 N1b N 31.8500 -17.8500
32 C1c C 34.2300 -17.8500
33 C7a C 31.8500 -19.2500
34 O7a O 30.6600 -19.9500
35 O6a O 33.0400 -19.9500
36 C1a C 30.6600 -21.3500
37 C1a C 35.4200 -17.1500
38 C1a C 34.2300 -19.2500
39 C1y C 18.4800 -26.8100
40 N1y N 17.1500 -27.2300
41 C1x C 17.1500 -28.6300
42 C1x C 18.4800 -29.0500
43 C1x C 19.3200 -27.9300
44 C5a C 15.9600 -26.5300
45 O5a O 14.7700 -27.2300
46 C1c C 15.9600 -25.1300
47 C1c C 14.7700 -24.4300
48 N1b N 17.2200 -24.4300
49 C7a C 17.2200 -22.9600
50 O7a O 18.4100 -22.3300
51 O6a O 15.9600 -22.2600
52 C1a C 18.4100 -20.9300
53 C1a C 13.5800 -25.0600
54 C1a C 14.7700 -22.9600
55 X Cl 27.9300 -25.9700
56 X Cl 27.9300 -28.1400
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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