| Entry |
|
|---|
| Name |
Valopicitabine dihydrochloride (USAN) |
|---|
| Formula |
C15H24N4O6. 2HCl
|
|---|
| Exact mass |
428.1229
|
|---|
| Mol weight |
429.29
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG01440 Arabinofuranosyl type antiviral
|
|---|
| Efficacy |
Antiviral, RNA polymerase inhibitor |
|---|
| Comment |
Treatment of chronic hepatitis C
|
|---|
| Target |
HCV NS5B polymerase [KO: K22472] |
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG01440 Arabinofuranosyl type antiviral
D09028 Valopicitabine dihydrochloride
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HCV NS5A/NS5B inhibitor
D09028 Valopicitabine dihydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 27
1 X Cl 32.2700 -21.9800
2 C1z C 27.4400 -17.9900
3 C1y C 26.0400 -17.9900
4 C1y C 25.6200 -16.6600
5 O2x O 26.7400 -15.8200
6 C1y C 27.8600 -16.6600
7 C1b C 24.2900 -16.2400
8 O1a O 23.2400 -17.0800
9 O7a O 25.2000 -19.1800
10 C7a C 23.8000 -19.1800
11 C1c C 23.1000 -20.3700
12 O6a O 23.1000 -18.0600
13 C1c C 21.6300 -20.3700
14 N1a N 23.8000 -21.5600
15 C1a C 20.9300 -19.1100
16 C1a C 21.0000 -21.5600
17 O1a O 27.4400 -19.3200
18 C8x C 29.0500 -14.5600
19 N4y N 29.0500 -15.9600
20 C8y C 30.2624 -16.6600
21 N5x N 31.4749 -15.9600
22 C8y C 31.4749 -14.5600
23 C8x C 30.2624 -13.8600
24 O5x O 30.2624 -18.0598
25 N1a N 32.7060 -13.8490
26 C1a C 28.4299 -18.9799
27 X Cl 32.2700 -21.9800
BOND 26
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 6 1
6 4 7 1 #Up
7 7 8 1
8 3 9 1 #Down
9 9 10 1
10 10 11 1
11 10 12 2
12 11 13 1
13 11 14 1 #Up
14 13 15 1
15 13 16 1
16 2 17 1 #Down
17 18 19 1
18 19 20 1
19 20 21 1
20 21 22 2
21 22 23 1
22 18 23 2
23 6 19 1 #Up
24 20 24 2
25 22 25 1
26 2 26 1 #Up
BRACKET 1 30.5900 -22.7500 30.5900 -21.0700
1 32.9700 -21.0700 32.9700 -22.7500
1 2
ORIGINAL 1 1
REPEAT 1 27
|
|---|
