| Entry
|
|
|---|
| Name
|
Sildenafil (INN);
Aphrodil (TN)
|
|---|
| Formula
|
C22H30N6O4S
|
|---|
| Exact mass
|
474.2049
|
|---|
| Mol weight
|
474.5764
|
|---|
| Structure
|
|
|---|
| Simcomp
|
|
|---|
| Class
|
Cardiovascular agent
DG01509
Phosphodiesterase V inhibitor
Metabolizing enzyme substrate
DG01642
CYP2C9 substrate
DG01633
CYP3A/CYP3A4 substrate
DG02913
CYP3A4 substrate
|
|---|
| Remark
|
| Product (DG00484):
| D02229<
JP
/
US
>
|
|
|---|
| Efficacy
|
Vasodilator, Impotence therapy, Phosphodiesterase V inhibitor
|
|---|
| Disease
|
Pulmonary arterial hypertension [DS:
H01621
]
|
|---|
| Target
|
|
|---|
| Pathway
|
|
|---|
| Metabolism
|
Enzyme: CYP3A4 [HSA:
1576
]; CYP2C9 [HSA:
1559
]
|
|---|
| Interaction
|
|
|---|
| Brite
|
Anatomical Therapeutic Chemical (ATC) classification [BR:
br08303
]
G GENITO URINARY SYSTEM AND SEX HORMONES
G04 UROLOGICALS
G04B UROLOGICALS
G04BE Drugs used in erectile dysfunction
G04BE03 Sildenafil
D08514 Sildenafil (INN)
Drug groups [BR:
br08330
]
Cardiovascular agent
DG01509 Phosphodiesterase V inhibitor
DG00484 Sildenafil
D08514 Sildenafil
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00484 Sildenafil
D08514 Sildenafil
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00484 Sildenafil
D08514 Sildenafil
Target-based classification of drugs [BR:
br08310
]
Enzymes
Hydrolases (EC3)
Phosphodiesterases
PDE5
D08514 Sildenafil (INN)
New drug approvals in Europe [
br08329.html
]
European public assessment reports (EPAR) authorised medicine
D08514
Drug metabolizing enzymes and transporters [
br08309.html
]
Drug metabolizing enzymes
D08514
Drug groups [BR:
br08330
]
Cardiovascular agent
DG01509 Phosphodiesterase V inhibitor
DG00484 Sildenafil
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00484 Sildenafil
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00484 Sildenafil
|
|---|
| Other DBs
|
|
|---|
| KCF data
|
ATOM 33
1 C8y C 19.3005 -16.9780
2 C8y C 20.4929 -16.2766
3 C8y C 19.3005 -18.3808
4 C8x C 18.0379 -16.2766
5 N5x N 21.6853 -16.9780
6 N4x N 20.4929 -14.8737
7 C8x C 18.0379 -19.0822
8 O2a O 20.4929 -19.0822
9 C8y C 16.8455 -16.9780
10 C8y C 22.9479 -16.2766
11 C8y C 21.6853 -14.1723
12 C8x C 16.8455 -18.3808
13 C1b C 21.6853 -18.3808
14 S4a S 15.6531 -16.2766
15 C8y C 22.9480 -14.8737
16 C8y C 24.2806 -16.6974
17 C1a C 22.8778 -19.0822
18 N1y N 14.4607 -16.9780
19 O3c O 16.6351 -15.2946
20 O3c O 14.6711 -15.2946
21 N4y N 24.2806 -14.4529
22 N5x N 25.1223 -15.5751
23 C1b C 24.7015 -18.0301
24 C1x C 14.4607 -18.3808
25 C1x C 13.1981 -16.2766
26 C1a C 24.7015 -13.1202
27 C1b C 26.0342 -18.3107
28 C1x C 13.1981 -19.0822
29 C1x C 12.0057 -16.9780
30 C1a C 26.4550 -19.6434
31 N1y N 12.0057 -18.3808
32 C1a C 10.8133 -19.0822
33 O5x O 21.6853 -12.7694
BOND 36
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 6 11 1
11 7 12 1
12 8 13 1
13 9 14 1
14 10 15 2
15 10 16 1
16 13 17 1
17 14 18 1
18 14 19 2
19 14 20 2
20 15 21 1
21 16 22 2
22 16 23 1
23 18 24 1
24 18 25 1
25 21 26 1
26 23 27 1
27 24 28 1
28 25 29 1
29 27 30 1
30 28 31 1
31 31 32 1
32 9 12 2
33 11 15 1
34 21 22 1
35 29 31 1
36 11 33 2
|
|---|