| Entry |
|
|---|
| Name |
Fadrozole hydrochloride hydrate (JAN);
Afema (TN) |
|---|
| Formula |
(C14H13N3. HCl)2. H2O
|
|---|
| Exact mass |
536.1858
|
|---|
| Mol weight |
537.4834
|
|---|
| Structure |
|
|---|
| Class |
Antineoplastic
DG01596 Aromatase inhibitor
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Estrogen biosynthesis inhibitor |
|---|
| Comment |
Aromatase inhibitor
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Interaction |
|
|---|
| Structure map |
|
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| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01596 Aromatase inhibitor
DG01292 Fadrozole
D03778 Fadrozole hydrochloride hydrate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Cytochrome P450
CYP19A1 (ARO)
D03778 Fadrozole hydrochloride hydrate (JAN)
Drug groups [BR:br08330]
Antineoplastic
DG01596 Aromatase inhibitor
DG01292 Fadrozole
|
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| Other DBs |
|
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| KCF data |
ATOM 37
1 C1x C 31.2131 -17.9636
2 C1x C 32.6125 -17.9636
3 C1x C 33.3122 -16.7517
4 C1y C 30.5134 -16.7517
5 N4y N 31.2131 -15.5399
6 C8y C 32.6159 -15.5439
7 C8x C 33.0532 -14.2110
8 N5x N 31.9206 -13.3834
9 C8x C 30.7834 -14.2046
10 C8y C 29.1160 -16.7552
11 C8x C 28.4163 -15.5434
12 C8x C 27.0169 -15.5433
13 C8y C 26.3172 -16.7552
14 C8x C 27.0169 -17.9672
15 C8x C 28.4163 -17.9672
16 C3b C 24.9178 -16.7552
17 N3a N 23.5164 -16.7479
18 X Cl 35.8849 -15.8362
19 O0 O 40.2032 -15.7656
20 C1x C 31.2131 -17.9636
21 C1y C 30.5134 -16.7517
22 N4y N 31.2131 -15.5399
23 C8y C 32.6159 -15.5439
24 C8x C 33.0532 -14.2110
25 N5x N 31.9206 -13.3834
26 C8x C 30.7834 -14.2046
27 C1x C 33.3122 -16.7517
28 C1x C 32.6125 -17.9636
29 C8y C 29.1160 -16.7552
30 C8x C 28.4163 -15.5434
31 C8x C 27.0169 -15.5433
32 C8y C 26.3172 -16.7552
33 C8x C 27.0169 -17.9672
34 C8x C 28.4163 -17.9672
35 C3b C 24.9178 -16.7552
36 N3a N 23.5164 -16.7479
37 X Cl 35.8849 -15.8362
BOND 38
1 2 3 1
2 16 17 3
3 5 6 1
4 6 7 2
5 7 8 1
6 8 9 2
7 9 5 1
8 3 6 1
9 5 4 1
10 4 1 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 15 10 1
17 4 10 1
18 1 2 1
19 13 16 1
20 28 27 1
21 35 36 3
22 22 23 1
23 23 24 2
24 24 25 1
25 25 26 2
26 26 22 1
27 27 23 1
28 22 21 1
29 21 20 1
30 29 30 2
31 30 31 1
32 31 32 2
33 32 33 1
34 33 34 2
35 34 29 1
36 21 29 1
37 20 28 1
38 32 35 1
BRACKET 1 22.7500 -18.6900 22.7500 -12.5300
1 37.3800 -12.5300 37.3800 -18.6900
1 2
ORIGINAL 1 1 4 5 6 7 8 9 3 2 10 11 12 13 14 15 16
1 17 18
REPEAT 1 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35
1 36 37
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