| Entry |
|
|---|
| Name |
Tenofovir alafenamide fumarate (JAN/USAN);
Vemlidy (TN) |
|---|
| Abbr |
TAF |
|---|
| Product |
|
|---|
| Formula |
(C21H29N6O5P)2. C4H4O4
|
|---|
| Exact mass |
1068.3984
|
|---|
| Mol weight |
1069.00
|
|---|
| Structure |
|
|---|
| Class |
Antiviral
DG01890 Nucleoside reverse transcriptase inhibitor (NRTI)
DG03107 Anti-HIV agent
DG01656 HIV reverse transcriptase inhibitor
Transporter substrate
DG01665 ABCB1 substrate
DG01913 ABCG2 substrate
|
|---|
| Remark |
| Therapeutic category: | 6250 |
| Product (DG01223): | D01982<JP/US> D10605<JP/US> |
|
|---|
| Efficacy |
Antiviral, Reverse transcriptase inhibitor |
|---|
| Disease |
Chronic hepatitis B virus infection [DS: H00412] |
|---|
| Comment |
Active form of prodrug: Tenofovir [CPD: C17407]
|
|---|
| Target |
HBV reverse transcriptase [KO: K21037] |
|---|
| Pathway |
|
|---|
| Metabolism |
Transporter: ABCB1 [HSA: 5243], ABCG2 [HSA: 9429]
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
J ANTIINFECTIVES FOR SYSTEMIC USE
J05 ANTIVIRALS FOR SYSTEMIC USE
J05A DIRECT ACTING ANTIVIRALS
J05AF Nucleoside and nucleotide reverse transcriptase inhibitors
J05AF13 Tenofovir alafenamide
D10605 Tenofovir alafenamide fumarate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
Antivirals
Anti-hepatitis B (HBV) Agents
Tenofovir
D10605 Tenofovir alafenamide fumarate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
6 Agents against pathologic organisms and parasites
62 Chemotherapeutics
625 Antivirals
6250 Antivirals
D10605 Tenofovir alafenamide fumarate (JAN/USAN)
Drug groups [BR:br08330]
Antiviral
DG01890 Nucleoside reverse transcriptase inhibitor (NRTI)
DG01223 Tenofovir
D10605 Tenofovir alafenamide fumarate
DG03107 Anti-HIV agent
DG01656 HIV reverse transcriptase inhibitor
DG01223 Tenofovir
D10605 Tenofovir alafenamide fumarate
Transporter substrate
DG01665 ABCB1 substrate
D10605 Tenofovir alafenamide fumarate
DG01913 ABCG2 substrate
D10605 Tenofovir alafenamide fumarate
Drug classes [BR:br08332]
Antiviral
DG03107 Anti-HIV agent
D10605 Tenofovir alafenamide fumarate
Antimicrobials [BR:br08307]
Antivirals
Genome replication inhibitor
HBV reverse transcriptase inhibitor
D10605 Tenofovir alafenamide fumarate (JAN/USAN) <JP/US>
Antimicrobials abbreviations [BR:br08327]
Antivirals
Genome replication inhibitor
HBV reverse transcriptase inhibitor
D10605 Tenofovir alafenamide fumarate (USAN/JAN)
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D10605
Drug metabolizing enzymes and transporters [br08309.html]
Drug transporters
D10605
Drug groups [BR:br08330]
Antiviral
DG01890 Nucleoside reverse transcriptase inhibitor (NRTI)
DG01223 Tenofovir
DG03107 Anti-HIV agent
DG01656 HIV reverse transcriptase inhibitor
DG01223 Tenofovir
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 74
1 N5x N 28.2100 -13.7900
2 C8x C 28.2100 -15.2600
3 N5x N 27.0200 -15.9600
4 C8y C 25.8300 -15.2600
5 C8y C 25.8300 -13.7900
6 C8y C 27.0200 -13.0900
7 N4y N 24.5000 -15.6800
8 C8x C 23.7300 -14.5600
9 N5x N 24.5000 -13.3700
10 N1a N 27.0200 -11.7600
11 C1b C 24.5000 -17.0800
12 C1c C 23.3100 -17.7800
13 O2a O 22.0500 -17.0800
14 C1b C 21.0000 -17.7800
15 P1a P 19.7400 -17.0800
16 C1a C 23.3100 -19.1100
17 O2b O 18.4800 -16.3800
18 O3b O 20.4400 -15.8200
19 N1b N 18.6200 -18.2700
20 C8y C 17.0800 -16.3800
21 C8x C 16.3800 -15.1900
22 C8x C 14.9800 -15.1900
23 C8x C 14.2800 -16.3800
24 C8x C 14.9800 -17.5700
25 C8x C 16.3800 -17.5700
26 C1c C 18.6200 -19.6700
27 C7a C 17.4300 -20.3700
28 C1a C 19.8100 -20.3700
29 O7a O 16.2400 -19.6700
30 O6a O 17.4300 -21.7700
31 C1c C 15.0500 -20.3700
32 C1a C 13.8600 -19.6700
33 C1a C 15.0500 -21.7700
34 C6a C 34.5800 -17.5000
35 C2b C 35.7924 -18.2000
36 O6a O 33.3676 -18.2000
37 O6a O 34.5800 -16.1000
38 C2b C 36.9879 -17.5096
39 C6a C 38.1753 -18.1951
40 O6a O 39.3665 -17.5071
41 O6a O 38.1755 -19.5998
42 N5x N 28.2100 -13.7900
43 C8x C 28.2100 -15.2600
44 N5x N 27.0200 -15.9600
45 C8y C 25.8300 -15.2600
46 C8y C 25.8300 -13.7900
47 C8y C 27.0200 -13.0900
48 N1a N 27.0200 -11.7600
49 N5x N 24.5000 -13.3700
50 C8x C 23.7300 -14.5600
51 N4y N 24.5000 -15.6800
52 C1b C 24.5000 -17.0800
53 C1c C 23.3100 -17.7800
54 O2a O 22.0500 -17.0800
55 C1b C 21.0000 -17.7800
56 P1a P 19.7400 -17.0800
57 O2b O 18.4800 -16.3800
58 C8y C 17.0800 -16.3800
59 C8x C 16.3800 -15.1900
60 C8x C 14.9800 -15.1900
61 C8x C 14.2800 -16.3800
62 C8x C 14.9800 -17.5700
63 C8x C 16.3800 -17.5700
64 O3b O 20.4400 -15.8200
65 N1b N 18.6200 -18.2700
66 C1c C 18.6200 -19.6700
67 C7a C 17.4300 -20.3700
68 O7a O 16.2400 -19.6700
69 C1c C 15.0500 -20.3700
70 C1a C 13.8600 -19.6700
71 C1a C 15.0500 -21.7700
72 O6a O 17.4300 -21.7700
73 C1a C 19.8100 -20.3700
74 C1a C 23.3100 -19.1100
BOND 77
1 34 35 1
2 34 36 1
3 34 37 2
4 35 38 2
5 38 39 1
6 39 40 1
7 39 41 2
8 1 2 2
9 2 3 1
10 3 4 2
11 4 5 1
12 5 6 2
13 1 6 1
14 4 7 1
15 7 8 1
16 8 9 2
17 5 9 1
18 6 10 1
19 7 11 1
20 11 12 1
21 12 13 1
22 13 14 1
23 14 15 1
24 12 16 1 #Up
25 15 17 1 #Up
26 15 18 2
27 15 19 1 #Down
28 17 20 1
29 20 21 2
30 21 22 1
31 22 23 2
32 23 24 1
33 24 25 2
34 20 25 1
35 19 26 1
36 26 27 1
37 26 28 1 #Up
38 27 29 1
39 27 30 2
40 29 31 1
41 31 32 1
42 31 33 1
43 42 43 2
44 43 44 1
45 44 45 2
46 45 46 1
47 46 47 2
48 42 47 1
49 45 51 1
50 51 50 1
51 50 49 2
52 46 49 1
53 47 48 1
54 51 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 53 74 1 #Up
60 56 57 1 #Up
61 56 64 2
62 56 65 1 #Down
63 57 58 1
64 58 59 2
65 59 60 1
66 60 61 2
67 61 62 1
68 62 63 2
69 58 63 1
70 65 66 1
71 66 67 1
72 66 73 1 #Up
73 67 68 1
74 67 72 2
75 68 69 1
76 69 70 1
77 69 71 1
BRACKET 1 11.2000 -23.2400 11.2000 -9.9400
1 29.0500 -9.9400 29.0500 -23.2400
1 2
ORIGINAL 1 1 2 3 4 5 6 10 9 8 7 11 12 13 14 15 17
1 20 21 22 23 24 25 18 19 26 27 29 31 32 33 30 28
1 16
REPEAT 1 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57
1 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73
1 74
|
|---|
