| Entry |
|
|---|
| Name |
Epristeride (JAN/USAN/INN) |
|---|
| Formula |
C25H37NO3
|
|---|
| Exact mass |
399.2773
|
|---|
| Mol weight |
399.57
|
|---|
| Structure |
|
|---|
| Efficacy |
Urological agent, 5alpha-Reductase inhibitor |
|---|
| Comment |
Treatment of benign prostatic hyperplasia and acne vulgaris
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
SRD5A1
D01134 Epristeride (JAN/USAN/INN)
SRD5A2
D01134 Epristeride (JAN/USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1x C 17.6443 -17.9490
2 C2y C 17.6443 -19.3228
3 C2x C 18.8369 -20.0097
4 C1x C 18.8369 -17.2622
5 C1z C 20.0225 -17.9490
6 C2y C 20.0166 -19.3228
7 C2x C 21.2034 -20.0148
8 C1x C 22.3960 -19.3329
9 C1y C 21.2152 -17.2673
10 C1y C 22.3961 -17.9622
11 C1x C 22.4186 -15.2219
12 C1x C 21.2264 -15.8972
13 C1z C 23.5995 -15.9166
14 C1y C 23.5830 -17.2826
15 C1x C 25.9489 -17.3113
16 C1x C 25.9655 -15.9454
17 C1y C 24.7908 -15.2480
18 C5a C 24.8074 -13.8743
19 N1b N 26.0053 -13.2019
20 O5a O 23.6262 -13.1731
21 C1d C 27.1866 -13.9032
22 C1a C 26.4904 -15.0837
23 C1a C 27.8641 -12.7038
24 C1a C 28.3707 -14.5841
25 C6a C 16.4551 -20.0103
26 O6a O 15.2650 -19.3241
27 O6a O 16.4557 -21.3841
28 C1a C 23.5904 -14.5425
29 C1a C 20.0103 -16.5753
BOND 32
1 7 8 1
2 13 14 1
3 15 16 1
4 16 17 1
5 17 13 1
6 14 15 1
7 8 10 1
8 17 18 1 #Up
9 9 5 1
10 18 19 1
11 5 4 1
12 18 20 2
13 4 1 1
14 19 21 1
15 21 22 1
16 1 2 1
17 21 23 1
18 9 10 1
19 21 24 1
20 10 14 1
21 2 25 1
22 13 11 1
23 25 26 1
24 11 12 1
25 25 27 2
26 12 9 1
27 2 3 2
28 3 6 1
29 5 6 1
30 13 28 1 #Up
31 6 7 2
32 5 29 1 #Up
|
|---|
