| Entry |
|
|---|
| Name |
Lenabasum (USAN/INN);
Ajulemic acid |
|---|
| Formula |
C25H36O4
|
|---|
| Exact mass |
400.2614
|
|---|
| Mol weight |
400.55
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Antifibrotic, Anti-inflammatory |
|---|
| Comment |
Treatment of systemic sclerosis, dermatomyositis or cystic fibrosis
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Cannabinoid
CNR2
D11312 Lenabasum (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C2x C 11.3400 -6.3000
2 C1x C 11.3400 -7.7000
3 C1y C 12.5524 -8.4000
4 C1y C 13.7649 -7.7000
5 C1x C 13.7649 -6.3000
6 C2y C 12.5524 -5.6000
7 C1z C 12.5524 -9.8000
8 O2x O 13.7649 -10.5000
9 C8y C 14.9773 -9.8000
10 C8y C 14.9773 -8.4000
11 C8x C 16.1897 -10.5000
12 C8y C 17.4022 -9.8000
13 C8x C 17.4022 -8.4000
14 C8y C 16.1897 -7.7000
15 O1a O 16.1897 -6.3001
16 C6a C 12.5524 -4.2002
17 O6a O 11.3232 -3.4903
18 O6a O 13.7480 -3.5098
19 C1a C 12.5524 -11.2000
20 C1a C 11.3400 -10.5000
21 C1d C 18.6353 -10.5122
22 C1b C 19.8415 -9.8160
23 C1b C 21.0233 -10.4985
24 C1b C 22.2176 -9.8090
25 C1b C 23.4053 -10.4949
26 C1b C 24.5966 -9.8072
27 C1a C 25.7859 -10.4940
28 C1a C 17.6453 -11.5022
29 C1a C 19.6252 -11.5022
BOND 31
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 3 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 4 10 1
12 9 11 2
13 11 12 1
14 12 13 2
15 13 14 1
16 10 14 2
17 14 15 1
18 6 16 1
19 16 17 2
20 16 18 1
21 7 19 1
22 7 20 1
23 12 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 21 28 1
31 21 29 1
|
|---|
