| Entry |
|
|---|
| Name |
Olverembatinib (USAN/INN) |
|---|
| Formula |
C29H27F3N6O
|
|---|
| Exact mass |
532.2198
|
|---|
| Mol weight |
532.56
|
|---|
| Structure |
|
|---|
| Efficacy |
Antineoplastic |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Protein kinases
Receptor tyrosine kinases (RTK)
PDGFR family
KIT (CD117)
D12175 Olverembatinib (USAN/INN)
Non-receptor tyrosine kinases
ABL family
BCR-ABL [HSA_VAR:25v1]
D12175 Olverembatinib (USAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 39
1 C8y C 23.4500 -17.7800
2 C8x C 23.4500 -19.1800
3 C8x C 22.2600 -19.8800
4 C8y C 21.0000 -19.1800
5 C8x C 21.0000 -17.7800
6 C8y C 22.2600 -17.0800
7 N1b N 19.8100 -19.8800
8 C5a C 18.6200 -19.1800
9 C8y C 17.4300 -19.8800
10 O5a O 18.6200 -17.7800
11 C8x C 17.4300 -21.2800
12 C8x C 16.1700 -21.9800
13 C8y C 14.9800 -21.2800
14 C8y C 14.9800 -19.8800
15 C8x C 16.1700 -19.1800
16 C1a C 13.7900 -21.9800
17 C3b C 13.7900 -19.1800
18 C3b C 12.5300 -18.4800
19 C8y C 11.3400 -17.7800
20 C8x C 10.1500 -18.4800
21 C8y C 8.8900 -17.7800
22 C8y C 8.8900 -16.3800
23 N5x N 10.1500 -15.6800
24 C8x C 11.3400 -16.3800
25 C8x C 7.5600 -18.2000
26 N5x N 6.7900 -17.0800
27 N4x N 7.5600 -15.9600
28 C1d C 22.2772 -15.6801
29 X F 22.2772 -14.2801
30 X F 20.8772 -15.6801
31 X F 23.6772 -15.6801
32 C1b C 24.6653 -17.0849
33 N1y N 25.8537 -17.7777
34 C1x C 25.8479 -19.1799
35 C1x C 27.0575 -19.8849
36 N1y N 28.2728 -19.1899
37 C1x C 28.2786 -17.7878
38 C1x C 27.0691 -17.0827
39 C1a C 29.4833 -19.8955
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 2
12 11 12 1
13 12 13 2
14 13 14 1
15 14 15 2
16 9 15 1
17 13 16 1
18 14 17 1
19 17 18 3
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 23 24 2
26 19 24 1
27 21 25 1
28 25 26 2
29 26 27 1
30 22 27 1
31 6 28 1
32 28 29 1
33 28 30 1
34 28 31 1
35 1 32 1
36 32 33 1
37 33 34 1
38 34 35 1
39 35 36 1
40 36 37 1
41 37 38 1
42 33 38 1
43 36 39 1
|
|---|
