| Entry |
|
|---|
| Name |
Valtorcitabine dihydrochloride (USAN) |
|---|
| Formula |
C14H22N4O5. 2HCl
|
|---|
| Exact mass |
398.1124
|
|---|
| Mol weight |
399.2702
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antiviral
DG01440 Arabinofuranosyl type antiviral
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral |
|---|
| Comment |
Active form of prodrug: Torcitabine [DR: D06196]
Treatment of Hepatitis B
|
|---|
| Target |
HBV reverse transcriptase [KO: K21037] |
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antiviral
DG01440 Arabinofuranosyl type antiviral
D06278 Valtorcitabine dihydrochloride
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HBV reverse transcriptase inhibitor
D06278 Valtorcitabine dihydrochloride (USAN)
Prodrugs [br08324.html]
DG02199
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 25
1 X Cl 27.1600 -18.3400
2 C1x C 22.3300 -14.3500
3 C1y C 20.9300 -14.3500
4 C1y C 20.5100 -13.0200
5 O2x O 21.6300 -12.1800
6 C1y C 22.7500 -13.0200
7 C1b C 19.1800 -12.6000
8 O1a O 18.1300 -13.4400
9 O7a O 20.0900 -15.5400
10 C7a C 18.6900 -15.5400
11 C1c C 17.9900 -16.7300
12 O6a O 17.9900 -14.4200
13 C1c C 16.5200 -16.7300
14 N1a N 18.6900 -17.9200
15 C1a C 15.8200 -15.4700
16 C1a C 15.8900 -17.9200
17 C8x C 23.6600 -10.9200
18 N4y N 23.6600 -12.3200
19 C8y C 24.8724 -13.0200
20 N5x N 26.0849 -12.3200
21 C8y C 26.0849 -10.9200
22 C8x C 24.8724 -10.2200
23 O5x O 24.8724 -14.4198
24 N1a N 27.3160 -10.2090
25 X Cl 27.1600 -18.3400
BOND 24
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 6 1
6 4 7 1 #Down
7 7 8 1
8 3 9 1 #Up
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 17 18 1
17 18 19 1
18 19 20 1
19 20 21 2
20 21 22 1
21 17 22 2
22 6 18 1 #Down
23 19 23 2
24 21 24 1
BRACKET 1 25.4800 -19.1100 25.4800 -17.4300
1 27.9300 -17.4300 27.9300 -19.1100
1 2
ORIGINAL 1 1
REPEAT 1 25
|
|---|
