| Entry |
|
|---|
| Name |
Olumacostat glasaretil (USAN/INN) |
|---|
| Formula |
C26H43NO7
|
|---|
| Exact mass |
481.3040
|
|---|
| Mol weight |
481.62
|
|---|
| Structure |
|
|---|
| Efficacy |
Anti-acne |
|---|
| Comment |
Treatment of acne vulgaris
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04920 | Adipocytokine signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Ligases (EC6)
Acetyl-CoA carboxylase
ACACA
D11186 Olumacostat glasaretil (USAN/INN)
ACACB
D11186 Olumacostat glasaretil (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 34
1 C8y C 16.3800 -19.1800
2 C8x C 16.8000 -20.5100
3 C8x C 18.2000 -20.5100
4 C8y C 18.6200 -19.1800
5 O2x O 17.5000 -18.3400
6 O2a O 15.1900 -18.4800
7 C1b C 14.0000 -19.1800
8 C1b C 12.8100 -18.4800
9 C1b C 11.6200 -19.1800
10 C1b C 10.4300 -18.4800
11 C1b C 9.2400 -19.1800
12 C1b C 8.0500 -18.4800
13 C1b C 8.0500 -17.0800
14 C1b C 9.2400 -16.3800
15 C1b C 10.4300 -17.0800
16 C1b C 11.6200 -16.3800
17 C1b C 12.8100 -17.0800
18 C1b C 14.0000 -16.3800
19 C1b C 15.1900 -17.0800
20 C1a C 16.3800 -16.3800
21 C7a C 19.8100 -18.4800
22 O7a O 21.0000 -19.1800
23 O6a O 19.8100 -17.0800
24 C1b C 22.1900 -18.4800
25 C5a C 23.3800 -19.1800
26 N1c N 24.5700 -18.4800
27 O5a O 23.3800 -20.5800
28 C1b C 25.7881 -19.1701
29 C1a C 24.5586 -17.0800
30 C7a C 26.9695 -18.4750
31 O7a O 28.1749 -19.1580
32 O6a O 26.9581 -17.0800
33 C1b C 29.3461 -18.4691
34 C1a C 30.5565 -19.1551
BOND 34
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 1 5 1
6 6 1 1
7 6 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 15 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 21 22 1
22 21 4 1
23 21 23 2
24 22 24 1
25 24 25 1
26 25 26 1
27 25 27 2
28 26 28 1
29 26 29 1
30 28 30 1
31 30 31 1
32 30 32 2
33 31 33 1
34 33 34 1
|
|---|
