| Entry |
|
|---|
| Name |
Telaglenastat (USAN/INN) |
|---|
| Formula |
C26H24F3N7O3S
|
|---|
| Exact mass |
571.1613
|
|---|
| Mol weight |
571.58
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Glutaminase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa05230 | Central carbon metabolism in cancer |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases (EC3)
Glutaminase
GLS
D11738 Telaglenastat (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 40
1 C8x C 3.9200 -18.4800
2 C8x C 3.9200 -19.8800
3 C8x C 5.1100 -20.5800
4 C8y C 6.3700 -19.8800
5 N5x N 6.3700 -18.4800
6 C8x C 5.1100 -17.7800
7 C1b C 7.5600 -20.5800
8 C5a C 8.7500 -19.8800
9 N1b N 9.9400 -20.5800
10 O5a O 8.7500 -18.4800
11 C8y C 11.1300 -19.8800
12 S2x S 12.2500 -20.7200
13 C8y C 13.3700 -19.9500
14 N5x N 13.0200 -18.6200
15 N5x N 11.6200 -18.6200
16 C1b C 15.7500 -19.9500
17 C1b C 16.9400 -20.6500
18 C1b C 14.5600 -20.6500
19 C1b C 18.1300 -19.9500
20 C8y C 19.3200 -20.6500
21 N5x N 19.3086 -22.0500
22 N5x N 20.5153 -22.7598
23 C8y C 21.8034 -22.0697
24 C8x C 21.7448 -20.6697
25 C8x C 20.5381 -19.9599
26 N1b N 22.9857 -22.7443
27 C5a C 24.1728 -22.0507
28 C1b C 25.3712 -22.7345
29 O5a O 24.1657 -20.6501
30 C8y C 26.5501 -22.0459
31 C8x C 27.7526 -22.7322
32 C8x C 28.9615 -22.0261
33 C8x C 28.9545 -20.6261
34 C8y C 27.7520 -19.9399
35 C8x C 26.5431 -20.6459
36 O2a O 27.7448 -18.5502
37 C1d C 28.9351 -17.8547
38 X F 28.2351 -16.6422
39 X F 29.6351 -19.0671
40 X F 30.1476 -17.1547
BOND 43
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 4 7 1
8 7 8 1
9 8 9 1
10 8 10 2
11 9 11 1
12 11 12 1
13 12 13 1
14 13 14 2
15 14 15 1
16 11 15 2
17 16 17 1
18 16 18 1
19 18 13 1
20 17 19 1
21 19 20 1
22 20 21 2
23 21 22 1
24 22 23 2
25 23 24 1
26 24 25 2
27 20 25 1
28 23 26 1
29 26 27 1
30 27 28 1
31 27 29 2
32 28 30 1
33 30 31 2
34 31 32 1
35 32 33 2
36 33 34 1
37 34 35 2
38 30 35 1
39 34 36 1
40 36 37 1
41 37 38 1
42 37 39 1
43 37 40 1
|
|---|
