| Entry |
|
|---|
| Name |
Avasimibe (USAN/INN) |
|---|
| Formula |
C29H43NO4S
|
|---|
| Exact mass |
501.2913
|
|---|
| Mol weight |
501.72
|
|---|
| Structure |
|
|---|
| Efficacy |
Antihyperlipidemic, Cholesterol acyltransferase (ACAT) inhibitor |
|---|
| Comment |
Anti-atherosclerotic
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Acyltransferases
SOAT
D03012 Avasimibe (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 35
1 C8x C 19.7400 -16.9400
2 C8x C 19.7400 -18.3400
3 C8y C 20.9524 -19.0400
4 C8y C 22.1649 -18.3400
5 C8y C 22.1649 -16.9400
6 C8x C 20.9524 -16.2400
7 C1c C 23.3960 -16.2290
8 C1a C 24.6012 -16.9247
9 C1a C 23.3957 -14.8401
10 C1c C 20.9524 -20.4398
11 C1a C 19.7232 -21.1497
12 C1a C 22.1480 -21.1302
13 O2a O 23.3960 -19.0510
14 S4a S 24.6012 -18.3553
15 N1b N 25.7835 -19.0381
16 O3c O 25.8136 -17.6553
17 O3c O 23.3887 -17.6553
18 C5a C 26.9724 -18.3400
19 C1b C 28.1849 -19.0400
20 C8y C 29.5849 -19.0400
21 C8y C 30.2909 -20.2633
22 C8x C 31.6909 -20.2634
23 C8y C 32.3911 -19.0511
24 C8x C 31.6851 -17.8279
25 C8y C 30.2851 -17.8277
26 C1c C 29.6014 -16.6426
27 C1a C 28.2101 -16.6423
28 C1a C 30.2964 -15.4398
29 C1c C 29.6099 -21.4424
30 C1a C 28.2102 -21.4422
31 C1a C 30.3002 -22.6380
32 C1c C 33.8100 -19.0515
33 C1a C 34.5153 -17.8306
34 C1a C 34.5047 -20.2555
35 O5a O 26.9672 -16.9401
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 7 8 1
9 7 9 1
10 3 10 1
11 10 11 1
12 10 12 1
13 4 13 1
14 13 14 1
15 14 15 1
16 14 16 2
17 14 17 2
18 15 18 1
19 18 19 1
20 19 20 1
21 20 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 24 25 2
26 20 25 1
27 25 26 1
28 26 27 1
29 26 28 1
30 21 29 1
31 29 30 1
32 29 31 1
33 23 32 1
34 32 33 1
35 32 34 1
36 18 35 2
|
|---|
