| Entry |
|
|---|
| Name |
Doconazole (USAN/INN) |
|---|
| Formula |
C26H22Cl2N2O3
|
|---|
| Exact mass |
480.1007
|
|---|
| Mol weight |
481.37
|
|---|
| Structure |
|
|---|
| Class |
Antifungal
DG01883 Imidazole antifungal
|
|---|
| Efficacy |
Antifungal |
|---|
| Comment |
Imidazole derivative
|
|---|
| Target |
sterol 14alpha-demethylase [KO: K05917] |
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antifungal
DG01883 Imidazole antifungal
D03883 Doconazole
Antimicrobials [BR:br08307]
Antifungals
Ergosterol biosynthesis inhibitor
Imidazole
D03883 Doconazole (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8x C 26.6700 -19.3200
2 C8x C 26.6700 -20.7200
3 C8x C 25.4100 -21.4200
4 C8x C 24.2200 -20.7200
5 C8y C 24.2200 -19.3200
6 C8x C 25.4100 -18.6200
7 C8y C 22.9600 -18.5500
8 C8x C 21.7700 -19.2500
9 C8x C 20.5800 -18.5500
10 C8y C 20.5800 -17.1500
11 C8x C 21.7700 -16.4500
12 C8x C 22.9600 -17.1500
13 O2a O 19.3200 -16.4500
14 C1b C 18.1300 -17.1500
15 C1y C 16.9400 -16.4500
16 C1x C 16.9400 -15.0500
17 O2x O 15.6100 -16.9400
18 C1z C 14.7700 -15.7500
19 O2x O 15.6100 -14.6300
20 C1b C 14.0700 -17.0100
21 N4y N 12.6700 -17.0100
22 C8x C 12.6700 -14.5600
23 C8y C 14.0700 -14.5600
24 C8x C 11.9700 -13.3700
25 C8y C 12.6700 -12.1100
26 C8x C 14.0700 -12.1100
27 C8y C 14.7700 -13.3700
28 X Cl 16.1700 -13.3700
29 X Cl 11.9700 -10.9200
30 C8x C 11.9000 -18.1300
31 C8x C 10.5700 -17.7100
32 N5x N 10.5700 -16.3100
33 C8x C 11.9000 -15.8900
BOND 37
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 13 14 1
16 15 14 1 #Down
17 15 16 1
18 15 17 1
19 17 18 1
20 18 19 1
21 16 19 1
22 18 20 1
23 20 21 1
24 22 23 1
25 18 23 1 #Up
26 22 24 2
27 24 25 1
28 25 26 2
29 26 27 1
30 23 27 2
31 27 28 1
32 25 29 1
33 21 30 1
34 30 31 2
35 31 32 1
36 32 33 2
37 21 33 1
|
|---|
