| Entry |
|
|---|
| Name |
Enclomiphene (USAN);
trans-Clomiphene |
|---|
| Formula |
C26H28ClNO
|
|---|
| Exact mass |
405.1859
|
|---|
| Mol weight |
405.96
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01585 Estrogen receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Gonadotropin stimulant, Estrogen receptor agonist/antagonist |
|---|
| Comment |
trans isomer of Clomiphene [DR: D07726]
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01992 Enclomiphene
D08910 Enclomiphene
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D08910 Enclomiphene (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01585 Estrogen receptor antagonist
DG01992 Enclomiphene
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8x C 11.3368 -17.5596
2 C8x C 11.3368 -18.9588
3 C8x C 12.5484 -19.6584
4 C8x C 13.7601 -18.9588
5 C8y C 13.7601 -17.5596
6 C8x C 12.5484 -16.8601
7 C2c C 14.9906 -16.8491
8 C8y C 16.1950 -17.5443
9 C2c C 14.9903 -15.4610
10 C8y C 16.1900 -14.7679
11 C8x C 16.1954 -18.9584
12 C8x C 17.4073 -19.6577
13 C8y C 18.6188 -18.9577
14 C8x C 18.6183 -17.5435
15 C8x C 17.4065 -16.8444
16 O2a O 19.8241 -19.6584
17 C1b C 21.0357 -18.9588
18 C1b C 22.2473 -19.6584
19 N1c N 23.4590 -18.9588
20 C1b C 24.6708 -19.6584
21 C1a C 25.8825 -18.9588
22 C1b C 23.4590 -17.5597
23 C1a C 24.6705 -16.8603
24 X Cl 13.7539 -14.7474
25 C8x C 17.3884 -15.4596
26 C8x C 18.6007 -14.7594
27 C8x C 18.6005 -13.3594
28 C8x C 17.4022 -12.6678
29 C8x C 16.1898 -13.3679
BOND 31
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
|
|---|
