| Entry |
|
|---|
| Name |
Liarozole fumarate (USAN);
Liazal (TN) |
|---|
| Formula |
(C17H13ClN4)2. (C4H4O4)3
|
|---|
| Exact mass |
964.1986
|
|---|
| Mol weight |
965.7463
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01596 Aromatase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antipsoriatic |
|---|
| Comment |
Aromatase inhibitor
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01596 Aromatase inhibitor
DG01293 Liarozole
D03781 Liarozole fumarate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Cytochrome P450
CYP19A1 (ARO)
D03781 Liarozole fumarate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01596 Aromatase inhibitor
DG01293 Liarozole
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 68
1 O6a O 32.9872 -17.6471
2 C6a C 34.2001 -16.9469
3 C2b C 35.4131 -17.6471
4 C2b C 36.6260 -16.9469
5 C6a C 37.8389 -17.6471
6 O6a O 39.0519 -16.9469
7 O6a O 34.2001 -15.5464
8 O6a O 37.8389 -19.0476
9 N4y N 23.2400 -16.1000
10 C1c C 23.2400 -17.5000
11 C8x C 24.3600 -15.2600
12 C8x C 23.9400 -13.9300
13 N5x N 22.5400 -13.9300
14 C8x C 22.1200 -15.2600
15 C8y C 22.0500 -18.2000
16 C8y C 24.5000 -18.2000
17 C8x C 20.8600 -17.5000
18 C8y C 19.6000 -18.2000
19 C8x C 19.6000 -19.6000
20 C8x C 20.8600 -20.3000
21 C8x C 22.0500 -19.6000
22 C8x C 24.5000 -19.6000
23 C8x C 25.6900 -20.3000
24 C8y C 26.8800 -19.6000
25 C8y C 26.8800 -18.2000
26 C8x C 25.6900 -17.5000
27 X Cl 18.4100 -17.5000
28 N5x N 28.2100 -20.0200
29 C8x C 29.0500 -18.9000
30 N4x N 28.2100 -17.7800
31 O6a O 32.9872 -17.6471
32 C6a C 34.2001 -16.9469
33 C2b C 35.4131 -17.6471
34 C2b C 36.6260 -16.9469
35 C6a C 37.8389 -17.6471
36 O6a O 39.0519 -16.9469
37 O6a O 37.8389 -19.0476
38 O6a O 34.2001 -15.5464
39 O6a O 32.9872 -17.6471
40 C6a C 34.2001 -16.9469
41 C2b C 35.4131 -17.6471
42 C2b C 36.6260 -16.9469
43 C6a C 37.8389 -17.6471
44 O6a O 39.0519 -16.9469
45 O6a O 37.8389 -19.0476
46 O6a O 34.2001 -15.5464
47 N4y N 23.2400 -16.1000
48 C1c C 23.2400 -17.5000
49 C8y C 22.0500 -18.2000
50 C8x C 20.8600 -17.5000
51 C8y C 19.6000 -18.2000
52 C8x C 19.6000 -19.6000
53 C8x C 20.8600 -20.3000
54 C8x C 22.0500 -19.6000
55 X Cl 18.4100 -17.5000
56 C8y C 24.5000 -18.2000
57 C8x C 24.5000 -19.6000
58 C8x C 25.6900 -20.3000
59 C8y C 26.8800 -19.6000
60 C8y C 26.8800 -18.2000
61 C8x C 25.6900 -17.5000
62 N4x N 28.2100 -17.7800
63 C8x C 29.0500 -18.9000
64 N5x N 28.2100 -20.0200
65 C8x C 24.3600 -15.2600
66 C8x C 23.9400 -13.9300
67 N5x N 22.5400 -13.9300
68 C8x C 22.1200 -15.2600
BOND 71
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 2 7 2
7 5 8 2
8 31 32 1
9 32 33 1
10 33 34 2
11 34 35 1
12 35 36 1
13 32 38 2
14 35 37 2
15 39 40 1
16 40 41 1
17 41 42 2
18 42 43 1
19 43 44 1
20 40 46 2
21 43 45 2
22 9 10 1
23 9 11 1
24 11 12 2
25 12 13 1
26 13 14 2
27 9 14 1
28 10 15 1
29 10 16 1
30 15 17 2
31 17 18 1
32 18 19 2
33 19 20 1
34 20 21 2
35 15 21 1
36 16 22 2
37 22 23 1
38 23 24 2
39 24 25 1
40 25 26 2
41 16 26 1
42 18 27 1
43 24 28 1
44 28 29 2
45 29 30 1
46 25 30 1
47 47 48 1
48 47 65 1
49 65 66 2
50 66 67 1
51 67 68 2
52 47 68 1
53 48 49 1
54 48 56 1
55 49 50 2
56 50 51 1
57 51 52 2
58 52 53 1
59 53 54 2
60 49 54 1
61 56 57 2
62 57 58 1
63 58 59 2
64 59 60 1
65 60 61 2
66 56 61 1
67 51 55 1
68 59 64 1
69 64 63 2
70 63 62 1
71 60 62 1
BRACKET 1 31.6400 -19.8800 31.6400 -14.7700
1 40.3200 -14.7700 40.3200 -19.8800
1 3
ORIGINAL 1 1 2 3 4 5 6 8 7
REPEAT 1 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46
2 18.1300 -20.7200 18.1300 -13.4400
2 29.6100 -13.4400 29.6100 -20.7200
2 2
ORIGINAL 2 9 10 15 17 18 19 20 21 27 16 22 23 24 25 26 30
2 29 28 11 12 13 14
REPEAT 2 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62
2 63 64 65 66 67 68
|
|---|
