| Entry |
|
|---|
| Name |
Temsavir (USAN/INN) |
|---|
| Abbr |
TMR |
|---|
| Formula |
C24H23N7O4
|
|---|
| Exact mass |
473.1812
|
|---|
| Mol weight |
473.4839
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
DG01913 ABCG2 substrate
Transporter inhibitor
DG02862 ABCG2 inhibitor
DG02865 SLCO1B1 inhibitor
DG02907 SLCO1B3 inhibitor
|
|---|
| Remark |
| Product (DG01860): | D10708<US> |
|
|---|
| Efficacy |
Antiviral |
|---|
| Comment |
HIV-1 attachment inhibitor
Treatment of HIV
|
|---|
| Target |
|
|---|
| Pathway |
| ko03260 | Virion - Human immunodeficiency virus |
| ko04061 | Viral protein interaction with cytokine and cytokine receptor |
| ko05170 | Human immunodeficiency virus 1 infection |
|
|---|
| Metabolism |
|
|---|
| Interaction |
Transporter inhibition: ABCG2 [HSA: 9429], SLCO1B1 [HSA: 10599], SLCO1B3 [HSA: 28234]
|
|---|
| Brite |
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG01860 Temsavir
D10734 Temsavir
Transporter substrate
DG01665 ABCB1 substrate
DG01860 Temsavir
D10734 Temsavir
DG01913 ABCG2 substrate
DG01860 Temsavir
D10734 Temsavir
Transporter inhibitor
DG02862 ABCG2 inhibitor
DG01860 Temsavir
D10734 Temsavir
DG02865 SLCO1B1 inhibitor
DG01860 Temsavir
D10734 Temsavir
DG02907 SLCO1B3 inhibitor
DG01860 Temsavir
D10734 Temsavir
Antimicrobials [BR:br08307]
Antivirals
Entry, fusion or uncoating inhibitor
HIV gp41/gp120
D10734 Temsavir (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10734
Drug transporters
D10734
Prodrugs [br08324.html]
D10734
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG01860 Temsavir
Transporter substrate
DG01665 ABCB1 substrate
DG01860 Temsavir
DG01913 ABCG2 substrate
DG01860 Temsavir
Transporter inhibitor
DG02862 ABCG2 inhibitor
DG01860 Temsavir
DG02865 SLCO1B1 inhibitor
DG01860 Temsavir
DG02907 SLCO1B3 inhibitor
DG01860 Temsavir
Prodrugs [br08324.html]
DG01860
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 N5x N 16.9400 -18.2700
2 C8x C 18.1300 -18.9700
3 C8y C 19.3900 -18.2700
4 C8y C 19.3900 -16.8700
5 C8y C 18.1300 -16.1700
6 C8y C 16.9400 -16.8700
7 C8y C 20.3700 -15.8900
8 C8x C 19.8100 -14.6300
9 N4x N 18.4100 -14.7700
10 N4y N 15.7500 -16.1700
11 C8x C 15.5400 -14.7700
12 N5x N 14.2100 -14.4900
13 C8y C 13.5100 -15.7500
14 N5x N 14.4900 -16.7300
15 C1a C 12.1100 -15.7500
16 O2a O 20.5800 -18.9700
17 C1a C 20.5800 -20.3700
18 C5a C 21.7700 -16.0300
19 O5a O 22.7500 -15.1900
20 C5a C 22.4700 -17.5000
21 O5a O 21.4900 -18.4800
22 N1y N 23.8000 -17.8500
23 C1x C 24.1500 -19.1800
24 C1x C 25.5500 -19.5300
25 N1y N 26.5300 -18.5500
26 C1x C 26.1800 -17.2200
27 C1x C 24.7800 -16.8000
28 C8x C 27.2300 -21.2100
29 C8y C 28.2800 -20.2300
30 C5a C 27.8600 -18.9000
31 C8x C 27.6500 -22.6100
32 C8x C 28.9800 -22.9600
33 C8x C 29.9600 -21.9100
34 C8x C 29.6100 -20.5800
35 O5a O 28.8400 -17.9200
BOND 39
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 6 10 1
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 10 14 1
17 13 15 1
18 3 16 1
19 16 17 1
20 7 18 1
21 18 19 2
22 18 20 1
23 20 21 2
24 20 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 22 27 1
31 28 29 2
32 29 30 1
33 25 30 1
34 28 31 1
35 31 32 2
36 32 33 1
37 33 34 2
38 29 34 1
39 30 35 2
|
|---|
