| Entry |
|
|---|
| Name |
Resmetirom (USAN/INN) |
|---|
| Formula |
C17H12Cl2N6O4
|
|---|
| Exact mass |
434.0297
|
|---|
| Mol weight |
435.221
|
|---|
| Structure |
|
|---|
| Efficacy |
Antidyslipidemia, Thyroid hormone receptor beta agonist |
|---|
| Comment |
Treatment of non-alcoholic steatohepatitis (NASH) and hypercholesterolemia/dyslipidemia
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04919 | Thyroid hormone signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Thyroid hormone receptor (THR)
NR1A2 (THRB)
D11602 Resmetirom (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C8y C 10.8500 -16.9400
2 C8y C 10.8500 -15.5400
3 C8x C 12.0400 -14.8400
4 C8y C 13.3000 -15.5400
5 N5x N 13.3000 -16.9400
6 N4x N 12.0400 -17.6400
7 O2a O 14.4900 -14.8400
8 C8y C 15.6800 -15.5400
9 C8y C 16.8700 -14.8400
10 C8x C 18.1300 -15.5400
11 C8y C 18.1300 -16.9400
12 C8x C 16.9400 -17.6400
13 C8y C 15.6800 -16.9400
14 N4y N 19.3200 -17.6400
15 N5x N 20.5100 -16.9400
16 C8y C 21.7700 -17.6400
17 C8y C 21.7700 -19.0400
18 N4x N 20.5800 -19.7400
19 C8y C 19.3200 -19.0400
20 O5x O 22.9600 -19.7400
21 O5x O 18.1300 -19.7400
22 O5x O 9.6600 -17.6400
23 C1c C 9.6600 -14.8400
24 C1a C 8.4700 -15.5400
25 C1a C 9.6600 -13.4400
26 X Cl 14.4900 -17.6400
27 X Cl 16.8700 -13.4400
28 C3b C 22.9600 -16.9400
29 N3a N 24.2200 -16.2400
BOND 31
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 11 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 18 19 1
21 14 19 1
22 17 20 2
23 19 21 2
24 1 22 2
25 2 23 1
26 23 24 1
27 23 25 1
28 13 26 1
29 9 27 1
30 16 28 1
31 28 29 3
|
|---|
