| Entry |
|
|---|
| Name |
Temuterkib (USAN) |
|---|
| Formula |
C22H27N7O2S
|
|---|
| Exact mass |
453.1947
|
|---|
| Mol weight |
453.56
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antineoplastic, Extracellular signal-regulated kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Serine/threonine kinases
CMGC group
ERK
D12059 Temuterkib (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 32
1 C8y C 19.1800 -16.8000
2 C8y C 19.1800 -18.2000
3 C1z C 20.5115 -18.6326
4 N1y N 21.3344 -17.5000
5 C5x C 20.5115 -16.3674
6 C8x C 17.8485 -16.3674
7 C8y C 17.0256 -17.5000
8 S2x S 17.8485 -18.6326
9 C8y C 15.6100 -17.5000
10 C8x C 14.9100 -16.2876
11 C8x C 13.5100 -16.2876
12 N5x N 12.8100 -17.5000
13 C8y C 13.5100 -18.7124
14 N5x N 14.9100 -18.7124
15 N1b N 12.8196 -19.9079
16 C8y C 11.4103 -19.9080
17 C8x C 10.5738 -18.7572
18 C8x C 9.2208 -19.1971
19 N5x N 9.2211 -20.6198
20 N4y N 10.5743 -21.0591
21 C1a C 11.0100 -22.3991
22 O5x O 20.9403 -15.0478
23 C1a C 20.9403 -19.9522
24 C1a C 19.5271 -19.6170
25 C1b C 22.7500 -17.5000
26 C1b C 23.4500 -16.2876
27 N1y N 24.8498 -16.2876
28 C1x C 25.5597 -17.5168
29 C1x C 26.9597 -17.5166
30 O2x O 27.6596 -16.3041
31 C1x C 26.9497 -15.0749
32 C1x C 25.5497 -15.0751
BOND 36
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 1 6 1
7 6 7 2
8 7 8 1
9 2 8 1
10 7 9 1
11 9 10 2
12 10 11 1
13 11 12 2
14 12 13 1
15 13 14 2
16 9 14 1
17 13 15 1
18 15 16 1
19 16 17 2
20 17 18 1
21 18 19 2
22 19 20 1
23 16 20 1
24 20 21 1
25 5 22 2
26 3 23 1
27 3 24 1
28 4 25 1
29 25 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 29 30 1
34 30 31 1
35 31 32 1
36 27 32 1
|
|---|
