| Entry |
|
|---|
| Name |
Clesacostat (USAN) |
|---|
| Formula |
C28H30N4O5
|
|---|
| Exact mass |
502.2216
|
|---|
| Mol weight |
502.5616
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Acetyl-CoA carboxylase inhibitor |
|---|
| Comment |
Treatment of nonalcoholic steatohepatitis (NASH)
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Ligases (EC6)
Acetyl-CoA carboxylase
ACACA
D11902 Clesacostat (USAN)
ACACB
D11902 Clesacostat (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 37
1 C8x C 9.9400 -15.1200
2 C8y C 9.9400 -16.5200
3 C8x C 11.1300 -17.2200
4 C8x C 12.3900 -16.5200
5 C8y C 12.3900 -15.1200
6 C8x C 11.1300 -14.4200
7 C6a C 8.7500 -17.2200
8 O6a O 7.5600 -16.5200
9 O6a O 8.7500 -18.6200
10 C8y C 13.5800 -14.4200
11 C8x C 14.7700 -15.1200
12 C8y C 16.0300 -14.4200
13 C8x C 16.0300 -13.0200
14 C8y C 14.8400 -12.3200
15 N5x N 13.5800 -13.0200
16 O2a O 14.8400 -10.9200
17 C1a C 16.0300 -10.2200
18 C5a C 17.2200 -15.1200
19 N1y N 18.4100 -14.4200
20 O5a O 17.2200 -16.5200
21 C1x C 19.6000 -15.1200
22 C1x C 20.8600 -14.4200
23 C1z C 20.8600 -13.0200
24 C1x C 19.6700 -12.3200
25 C1x C 18.4100 -13.0200
26 C1x C 20.8600 -11.6200
27 C1x C 22.0500 -13.7200
28 C8y C 23.3100 -13.0200
29 C8y C 23.3100 -11.6200
30 C5x C 22.0500 -10.9200
31 O5x O 22.0328 -9.5201
32 C8x C 24.6415 -13.4526
33 N5x N 25.4644 -12.3200
34 N4y N 24.6415 -11.1874
35 C1c C 25.0703 -9.8678
36 C1a C 26.3918 -9.4384
37 C1a C 24.2535 -8.7436
BOND 41
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 2 7 1
8 7 8 1
9 7 9 2
10 5 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 10 15 1
17 14 16 1
18 16 17 1
19 12 18 1
20 18 19 1
21 18 20 2
22 19 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 19 25 1
28 26 23 1
29 23 27 1
30 27 28 1
31 28 29 2
32 29 30 1
33 26 30 1
34 30 31 2
35 28 32 1
36 32 33 2
37 33 34 1
38 29 34 1
39 34 35 1
40 35 36 1
41 35 37 1
|
|---|
