Entry |
|
Name |
Nitromifene citrate (USAN) |
Formula |
C27H28N2O4. C6H8O7
|
Exact mass |
636.2319
|
Mol weight |
636.64
|
Structure |

|
Simcomp |
|
Class |
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
Hormonal agent
DG01584 Estrogen receptor agonist
DG01619 Estrogen receptor antagonist/modulator
|
Efficacy |
Etrogen receptor modulator |
Target |
|
Pathway |
|
Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01620 Tamoxifene-type antineoplastic
D05192 Nitromifene citrate
Hormonal agent
DG01584 Estrogen receptor agonist
D05192 Nitromifene citrate
DG01619 Estrogen receptor antagonist/modulator
D05192 Nitromifene citrate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D05192 Nitromifene citrate (USAN)
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 46
1 C1d C 39.9914 -21.1743
2 C1b C 38.7880 -21.8661
3 C1b C 41.1948 -21.8601
4 C6a C 40.6774 -19.9649
5 O1a O 39.2878 -19.9649
6 C6a C 37.5902 -21.1800
7 C6a C 41.1832 -23.2498
8 O6a O 39.9739 -18.7558
9 O6a O 42.0727 -19.9649
10 O6a O 36.3870 -21.8777
11 O6a O 37.5782 -19.7907
12 O6a O 42.3867 -23.9474
13 O6a O 39.9739 -23.9415
14 C8x C 24.3600 -23.6600
15 C8y C 24.3600 -25.0600
16 C8x C 25.5724 -25.7600
17 C8x C 26.7849 -25.0600
18 C8y C 26.7849 -23.6600
19 C8x C 25.5724 -22.9600
20 C8x C 29.2097 -25.0600
21 C8y C 29.2097 -23.6600
22 C2c C 27.9973 -22.9600
23 C8x C 30.4222 -25.7600
24 C8y C 31.6346 -25.0600
25 C8x C 31.6346 -23.6600
26 C8x C 30.4222 -22.9600
27 O2a O 23.1476 -25.7600
28 C1a C 21.9521 -25.0696
29 O2a O 32.8511 -25.7623
30 C1b C 34.0486 -25.0708
31 C1b C 35.2349 -25.7557
32 N1y N 36.4267 -25.0674
33 C2c C 27.9973 -21.5600
34 C8y C 29.2118 -20.8588
35 N2b N 26.7869 -20.8612 #+
36 O3a O 25.5924 -21.5510 #-
37 O3a O 26.7868 -19.4602
38 C8x C 30.4083 -21.5498
39 C8x C 31.6208 -20.8499
40 C8x C 31.6209 -19.4499
41 C8x C 30.4244 -18.7590
42 C8x C 29.2119 -19.4588
43 C1x C 36.4267 -23.6674
44 C1x C 37.7582 -25.5000
45 C1x C 38.5811 -24.3674
46 C1x C 37.7582 -23.2348
BOND 48
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 6 10 1
10 6 11 2
11 7 12 1
12 7 13 2
13 14 15 2
14 15 16 1
15 16 17 2
16 17 18 1
17 18 19 2
18 14 19 1
19 20 21 1
20 21 22 1
21 18 22 1
22 20 23 2
23 23 24 1
24 24 25 2
25 25 26 1
26 21 26 2
27 15 27 1
28 27 28 1
29 24 29 1
30 29 30 1
31 30 31 1
32 31 32 1
33 22 33 2
34 33 34 1
35 33 35 1
36 35 36 1
37 35 37 2
38 34 38 2
39 38 39 1
40 39 40 2
41 40 41 1
42 41 42 2
43 34 42 1
44 32 43 1
45 32 44 1
46 44 45 1
47 45 46 1
48 43 46 1
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