| Entry |
|
|---|
| Name |
Fipaxalparant (USAN/INN) |
|---|
| Formula |
C27H27NO5
|
|---|
| Exact mass |
445.1889
|
|---|
| Mol weight |
445.51
|
|---|
| Structure |
|
|---|
| Efficacy |
Lysophosphatidic acid receptor 1 antagonist |
|---|
| Comment |
Treatment of systemic sclerosis
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04072 | Phospholipase D signaling pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Lysophosphatidic acid
LPAR1
D12642 Fipaxalparant (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 25.9700 -16.6600
2 C8x C 25.9700 -18.0600
3 C8x C 27.1600 -18.7600
4 C8x C 28.4200 -18.0600
5 C8y C 28.4200 -16.6600
6 C8x C 27.1600 -15.9600
7 C1a C 29.6100 -15.9600
8 C1b C 24.7800 -15.9600
9 C1b C 23.5900 -16.6600
10 O2a O 22.4000 -15.9600
11 C8y C 21.2100 -16.6600
12 C8x C 20.0200 -15.9600
13 C8y C 18.7600 -16.6600
14 C8x C 18.7600 -18.0600
15 C8x C 19.9500 -18.7600
16 C8y C 21.2100 -18.0600
17 O2a O 22.4000 -18.7600
18 C1a C 23.5900 -18.0600
19 C5a C 17.5700 -15.9600
20 N1b N 16.3800 -16.6600
21 O5a O 17.5700 -14.5600
22 C1z C 15.1900 -15.9600
23 C6a C 14.4232 -17.1250
24 O6a O 13.0291 -17.1664
25 O6a O 15.0988 -18.3352
26 C1x C 15.1900 -14.5600
27 C1x C 13.8600 -16.3800
28 C8y C 13.0200 -15.2600
29 C8y C 13.8600 -14.1400
30 C8x C 13.3101 -12.8525
31 C8x C 11.9201 -12.6851
32 C8x C 11.0801 -13.8051
33 C8x C 11.6301 -15.0925
BOND 36
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 5 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 11 16 1
18 16 17 1
19 17 18 1
20 13 19 1
21 19 20 1
22 19 21 2
23 20 22 1
24 22 23 1
25 23 24 1
26 23 25 2
27 26 22 1
28 22 27 1
29 27 28 1
30 28 29 1
31 26 29 1
32 29 30 2
33 30 31 1
34 31 32 2
35 32 33 1
36 28 33 2
|
|---|
