| Entry |
|
|---|
| Name |
Rovafovir etalafenamide (USAN) |
|---|
| Formula |
C21H24FN6O6P
|
|---|
| Exact mass |
506.1479
|
|---|
| Mol weight |
506.42
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiviral |
|---|
| Comment |
Treatment of HIV infection
|
|---|
| Target |
HIV-1 reverse transcriptase [KO: K24802] |
|---|
| Pathway |
|
|---|
| Brite |
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HIV reverse transcriptase inhibitor
D11721 Rovafovir etalafenamide (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C8y C 26.1100 -14.7700
2 C8y C 26.1100 -13.3000
3 N4y N 24.7800 -15.1900
4 N5x N 27.3000 -15.4000
5 N5x N 24.7800 -12.8800
6 C8y C 27.3000 -12.6700
7 C8x C 23.9400 -14.0700
8 C8x C 28.4900 -14.7700
9 N5x N 28.4900 -13.3000
10 N1a N 27.3000 -11.2700
11 C1y C 24.4300 -16.5200
12 C2y C 24.0100 -17.8500
13 C2x C 22.6100 -17.8500
14 C1y C 22.1200 -16.5200
15 O2x O 23.3100 -15.7500
16 X F 24.8500 -18.9700
17 O2a O 20.9300 -15.7500
18 C1b C 19.7400 -16.4500
19 P1a P 18.4800 -15.7500
20 O2b O 17.2200 -15.0500
21 O3b O 19.1800 -14.4900
22 N1b N 17.3600 -16.9400
23 C8y C 15.8200 -15.0500
24 C8x C 15.1200 -13.8600
25 C8x C 13.7200 -13.8600
26 C8x C 13.0200 -15.0500
27 C8x C 13.7200 -16.2400
28 C8x C 15.1200 -16.2400
29 C1c C 17.3600 -18.3400
30 C7a C 16.1700 -19.0400
31 C1a C 18.5500 -19.0400
32 O7a O 14.9800 -18.3400
33 O6a O 16.1700 -20.4400
34 C1b C 13.7900 -19.0400
35 C1a C 12.6000 -18.3400
BOND 38
1 2 5 1
2 2 6 1
3 3 7 1
4 4 8 2
5 6 9 2
6 5 7 2
7 8 9 1
8 1 2 2
9 1 3 1
10 1 4 1
11 6 10 1
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 1
16 11 15 1
17 11 3 1 #Up
18 12 16 1
19 14 17 1 #Up
20 18 19 1
21 19 20 1 #Up
22 19 21 2
23 19 22 1 #Down
24 20 23 1
25 23 24 2
26 24 25 1
27 25 26 2
28 26 27 1
29 27 28 2
30 23 28 1
31 22 29 1
32 29 30 1
33 29 31 1 #Up
34 30 32 1
35 30 33 2
36 32 34 1
37 34 35 1
38 18 17 1
|
|---|
