| Entry |
|
|---|
| Name |
Enclomiphene citrate (USAN);
Androxal (TN) |
|---|
| Formula |
C26H28ClNO. C6H8O7
|
|---|
| Exact mass |
597.2129
|
|---|
| Mol weight |
598.08
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01585 Estrogen receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Gonadotropin stimulant, Estrogen receptor agonist/antagonist |
|---|
| Comment |
trans isomer of Clomiphene citrate [DR: D00962]
Increase testosterone in men with secondary hypogonadism
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01992 Enclomiphene
D10876 Enclomiphene citrate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D10876 Enclomiphene citrate (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01992 Enclomiphene
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 42
1 C8x C 11.3836 -17.5992
2 C8x C 11.3836 -18.9959
3 C8x C 12.5709 -19.6943
4 C8x C 13.8279 -18.9959
5 C8y C 13.8279 -17.5992
6 C8x C 12.5709 -16.9008
7 C2c C 15.0152 -16.9008
8 C8y C 16.2024 -17.5992
9 C2c C 15.0152 -15.5040
10 C8y C 16.2024 -14.8057
11 C8x C 16.2024 -18.9959
12 C8x C 17.4595 -19.6943
13 C8y C 18.6467 -18.9959
14 C8x C 18.6467 -17.5992
15 C8x C 17.4595 -16.9008
16 O2a O 19.8340 -19.6943
17 C1b C 21.0910 -18.9959
18 C1b C 22.2783 -19.6943
19 N1c N 23.4655 -18.9959
20 C1b C 24.7226 -19.6943
21 C1a C 25.9098 -18.9959
22 C1b C 23.4655 -17.5992
23 C1a C 24.7226 -16.9008
24 X Cl 13.8279 -14.8057
25 C8x C 17.3896 -15.5040
26 C8x C 18.6467 -14.8057
27 C8x C 18.6467 -13.4089
28 C8x C 17.4595 -12.7105
29 C8x C 16.2024 -13.4089
30 C6a C 29.6367 -16.6069
31 C1b C 30.8280 -17.3076
32 O6a O 28.3754 -17.3076
33 O6a O 29.6367 -15.2054
34 C1d C 32.0192 -16.6069
35 C1b C 33.2105 -17.3076
36 C6a C 33.2105 -18.7091
37 O6a O 31.9492 -19.4799
38 O6a O 34.4017 -19.4098
39 C6a C 32.7200 -15.4156
40 O6a O 32.0192 -14.2244
41 O6a O 34.1214 -15.4156
42 O1a O 31.3185 -15.4156
BOND 43
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 5 7 1
8 7 8 1
9 7 9 2
10 9 10 1
11 8 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 8 15 1
17 13 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 19 22 1
24 22 23 1
25 9 24 1
26 10 25 2
27 25 26 1
28 26 27 2
29 27 28 1
30 28 29 2
31 10 29 1
32 30 31 1
33 30 32 1
34 30 33 2
35 31 34 1
36 34 35 1
37 35 36 1
38 36 37 2
39 36 38 1
40 34 39 1
41 39 40 1
42 39 41 2
43 34 42 1
|
|---|