| Entry |
|
|---|
| Name |
Albaconazole (USAN/INN) |
|---|
| Formula |
C20H16ClF2N5O2
|
|---|
| Exact mass |
431.0961
|
|---|
| Mol weight |
431.82
|
|---|
| Structure |
|
|---|
| 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
D09702 Albaconazole
Antimicrobials [BR:br08307]
Antifungals
Ergosterol biosynthesis inhibitor
Triazole
D09702 Albaconazole (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 30
1 C8x C 14.8400 -32.0600
2 C8y C 14.8400 -33.4600
3 C8x C 16.0524 -34.1600
4 C8y C 17.2649 -33.4600
5 C8y C 17.2649 -32.0600
6 C8x C 16.0524 -31.3600
7 X Cl 13.6276 -34.1600
8 N5x N 18.4773 -34.1600
9 C8x C 19.6897 -33.4600
10 N4y N 19.6897 -32.0600
11 C8y C 18.4773 -31.3600
12 O5x O 18.4773 -29.9600
13 C1c C 20.8873 -31.3685
14 C1d C 22.0756 -32.0545
15 C1a C 20.8874 -29.9603
16 C1b C 23.2664 -31.3669
17 N4y N 23.2664 -29.9602
18 C8y C 22.0757 -33.4598
19 C8x C 20.8441 -34.1713
20 C8x C 20.8445 -35.5713
21 C8y C 22.0571 -36.2709
22 C8x C 23.2887 -35.5594
23 C8y C 23.2884 -34.1594
24 X F 24.5165 -33.4498
25 X F 22.0574 -37.6600
26 O1a O 23.4279 -32.4169
27 C8x C 24.3817 -29.1497
28 N5x N 23.9555 -27.8386
29 C8x C 22.5768 -27.8388
30 N5x N 22.1509 -29.1500
BOND 33
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 2 7 1
8 4 8 1
9 8 9 2
10 9 10 1
11 10 11 1
12 5 11 1
13 11 12 2
14 10 13 1
15 13 14 1
16 13 15 1 #Down
17 14 16 1
18 16 17 1
19 14 18 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 23 24 1
27 21 25 1
28 14 26 1 #Up
29 17 27 1
30 27 28 2
31 28 29 1
32 29 30 2
33 17 30 1
|
|---|
