Entry |
|
Name |
Alteconazole (INN) |
Formula |
C17H12Cl3N3O
|
Exact mass |
379.0046
|
Mol weight |
380.6557
|
Structure |
|
Simcomp |
|
Class |
Antifungal
DG01523 Triazole antifungal
|
Efficacy |
Antifungal |
Comment |
Triazole derivative
|
Target |
sterol 14alpha-demethylase [KO: K05917] |
Interaction |
|
Brite |
Drug groups [BR:br08330]
Antifungal
DG01523 Triazole antifungal
D02586 Alteconazole
Antimicrobials [BR:br08307]
Antifungals
Ergosterol biosynthesis inhibitor
Triazole
D02586 Alteconazole (INN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 24
1 C1y C 16.2400 -14.0000
2 C1z C 17.6400 -14.0000
3 O2x O 16.9400 -12.8100
4 C8x C 12.6000 -14.7000
5 C8y C 12.6000 -16.1000
6 C8x C 13.7900 -16.8000
7 C8y C 15.0500 -16.1000
8 C8y C 15.0500 -14.7000
9 C8x C 13.7900 -14.0000
10 X Cl 11.4100 -16.8000
11 X Cl 16.2400 -16.8000
12 C1b C 18.8300 -14.7000
13 N4y N 18.8300 -16.1000
14 C8x C 17.7100 -16.9400
15 N5x N 18.1300 -18.2700
16 C8x C 19.6000 -18.2700
17 N5x N 20.0200 -16.9400
18 C8x C 18.8300 -11.9000
19 C8y C 18.8300 -13.3000
20 C8x C 20.0200 -14.0000
21 C8x C 21.2800 -13.3000
22 C8y C 21.2800 -11.9000
23 C8x C 20.0200 -11.2000
24 X Cl 22.4866 -11.1900
BOND 27
1 1 2 1
2 1 3 1
3 3 2 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 4 9 1
10 1 8 1 #Down
11 5 10 1
12 7 11 1
13 2 12 1 #Down
14 12 13 1
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 13 17 1
20 18 19 2
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 18 23 1
26 19 2 1
27 22 24 1
|