| Entry |
|
|---|
| Name |
Admilparant (USAN) |
|---|
| Formula |
C22H31N5O5
|
|---|
| Exact mass |
445.2325
|
|---|
| Mol weight |
445.51
|
|---|
| Structure |
|
|---|
| Efficacy |
Antifibrosis, Lysophosphatidic acid receptor 1 antagonist |
|---|
| Comment |
Treatment of patients with idiopathic pulmonary fibrosis and progressive fibrosing interstitial lung disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Lysophosphatidic acid
LPAR1
D12657 Admilparant (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C1x C 9.5900 -14.9800
2 C1x C 9.5900 -16.3800
3 C1y C 10.7800 -17.0800
4 C1x C 12.0400 -16.3800
5 C1y C 12.0400 -14.9800
6 C1x C 10.7800 -14.2800
7 O2a O 13.2300 -14.2800
8 C8y C 13.2300 -12.8800
9 C8y C 14.4200 -12.1800
10 N5x N 14.4200 -10.7800
11 C8y C 13.2300 -10.0800
12 C8x C 12.0400 -10.7800
13 C8x C 12.0400 -12.1800
14 C1a C 15.6100 -12.8800
15 C8y C 13.2300 -8.6800
16 C8y C 14.3500 -7.8400
17 N4y N 13.9300 -6.5100
18 N5x N 12.5300 -6.5100
19 N5x N 12.1100 -7.8400
20 C1b C 15.5400 -8.5400
21 O7a O 16.7300 -7.8400
22 C7a C 17.9200 -8.5400
23 N1c N 19.1100 -7.8400
24 O6a O 17.9200 -9.9400
25 C1b C 20.3000 -8.5400
26 C1a C 19.1100 -6.4400
27 C1b C 21.4900 -7.8400
28 C1a C 22.6800 -8.5400
29 C1a C 14.7576 -5.3808
30 C6a C 10.7628 -18.4799
31 O6a O 9.5549 -19.1576
32 O6a O 11.9792 -19.2024
BOND 34
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 5 7 1 #Down
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 9 14 1
16 11 15 1
17 15 16 2
18 16 17 1
19 17 18 1
20 18 19 2
21 15 19 1
22 16 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 2
27 23 25 1
28 23 26 1
29 25 27 1
30 27 28 1
31 17 29 1
32 3 30 1 #Up
33 30 31 2
34 30 32 1
|
|---|
