| Entry |
|
|---|
| Name |
Opevesostat (USAN/INN) |
|---|
| Formula |
C21H26N2O5S
|
|---|
| Exact mass |
418.1562
|
|---|
| Mol weight |
418.51
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Androgen biosynthesis inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04925 | Aldosterone synthesis and secretion |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Cytochrome P450
CYP11A1
D13110 Opevesostat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 15.0500 -15.0500
2 C8x C 15.0500 -16.4500
3 C8y C 16.2624 -17.1500
4 C8y C 17.4749 -16.4500
5 C8x C 17.4749 -15.0500
6 O2x O 16.2624 -14.3500
7 O5x O 16.2624 -18.5498
8 C1b C 13.8376 -14.3500
9 N1y N 12.6421 -15.0404
10 C1x C 11.3248 -14.6622
11 C8y C 10.5546 -15.7959
12 C8y C 11.3949 -16.8787
13 C1x C 12.6844 -16.4142
14 C8x C 9.1676 -15.9862
15 C8x C 8.6389 -17.2825
16 C8x C 9.4792 -18.3653
17 C8x C 10.8662 -18.1750
18 O2a O 18.7060 -17.1610
19 C1b C 19.9112 -16.4653
20 C1y C 21.0935 -17.1481
21 C1x C 21.0934 -18.5498
22 C1x C 22.3058 -19.2499
23 N1y N 23.5183 -18.5500
24 C1x C 23.5184 -17.1483
25 C1x C 22.3060 -16.4482
26 S4a S 24.7319 -19.2509
27 C1a C 25.9444 -19.9509
28 O3c O 24.0319 -20.4633
29 O3c O 25.4319 -18.0384
BOND 32
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 3 7 2
8 1 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 9 13 1
15 11 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 12 17 2
20 4 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 23 26 1
30 26 27 1
31 26 28 2
32 26 29 2
|
|---|
