| Entry |
|
|---|
| Name |
Denifanstat (USAN/INN) |
|---|
| Formula |
C27H29N5O
|
|---|
| Exact mass |
439.2372
|
|---|
| Mol weight |
439.55
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic, Fatty acid synthase inhibitor |
|---|
| Comment |
Treatment of non-alcoholic steatohepatitis (NASH) and solid tumors
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Acyltransferases
FASN
D12391 Denifanstat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 33
1 C8y C 14.3552 -14.7097
2 C8y C 14.3552 -16.1107
3 C8x C 15.5685 -16.8112
4 C8y C 16.7820 -16.1107
5 C8y C 16.7820 -14.7097
6 C8x C 15.5685 -14.0091
7 C1y C 13.1419 -16.8112
8 C1a C 18.0140 -16.8223
9 C1x C 11.8095 -16.4542
10 C1x C 11.4524 -17.7865
11 C1x C 12.7847 -18.1436
12 C8y C 13.1419 -14.0091
13 N5x N 12.9957 -12.6183
14 N4x N 11.6278 -12.3275
15 C8y C 10.9284 -13.5386
16 N5x N 11.8643 -14.5780
17 C1a C 9.5315 -13.6854
18 C5a C 18.0140 -13.9981
19 N1y N 19.2201 -14.6944
20 O5a O 18.0137 -12.6082
21 C1x C 19.2205 -16.1103
22 C1x C 20.4340 -16.8105
23 C1y C 21.6472 -16.1096
24 C1x C 21.6467 -14.6936
25 C1x C 20.4332 -13.9934
26 C8y C 22.8563 -16.8072
27 C8x C 22.8568 -18.2121
28 C8x C 24.0705 -18.9122
29 C8y C 25.2836 -18.2113
30 C8x C 25.2831 -16.8064
31 C8x C 24.0695 -16.1063
32 C3b C 26.4975 -18.9116
33 N3a N 27.7109 -19.6122
BOND 37
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 2 7 1
8 4 8 1
9 7 9 1
10 9 10 1
11 10 11 1
12 7 11 1
13 1 12 1
14 12 13 2
15 13 14 1
16 14 15 1
17 15 16 2
18 12 16 1
19 15 17 1
20 5 18 1
21 18 19 1
22 18 20 2
23 19 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 19 25 1
29 23 26 1
30 26 27 2
31 27 28 1
32 28 29 2
33 29 30 1
34 30 31 2
35 26 31 1
36 29 32 1
37 32 33 3
|
|---|
