| Entry |
|
|---|
| Name |
Ponatinib (USAN/INN) |
|---|
| Formula |
C29H27F3N6O
|
|---|
| Exact mass |
532.2198
|
|---|
| Mol weight |
532.5595
|
|---|
| Structure |
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|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00722): | D09951<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
|
|---|
| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EA BCR-ABL tyrosine kinase inhibitors
L01EA05 Ponatinib
D09950 Ponatinib (USAN/INN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG00722 Ponatinib
D09950 Ponatinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00722 Ponatinib
D09950 Ponatinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
ABL family
BCR-ABL [HSA_VAR:25v1]
D09950 Ponatinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09950
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG00722 Ponatinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG00722 Ponatinib
|
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| Other DBs |
|
|---|
| KCF data |
ATOM 39
1 N1y N 31.5700 -28.2800
2 C1x C 31.5700 -29.6800
3 C1x C 32.7600 -30.3800
4 N1y N 34.0200 -29.6800
5 C1x C 34.0200 -28.2800
6 C1x C 32.7600 -27.5800
7 C1a C 35.2100 -30.3800
8 C1b C 30.3547 -27.5849
9 C8y C 29.1663 -28.2777
10 C8y C 27.9699 -27.5935
11 C8x C 26.7603 -28.2984
12 C8y C 26.7660 -29.6984
13 C8x C 27.9623 -30.3826
14 C8x C 29.1719 -29.6777
15 C1d C 28.0339 -26.1805
16 X F 28.0339 -24.7805
17 X F 26.6339 -26.1805
18 X F 29.4339 -26.1805
19 N1b N 25.5454 -30.4100
20 C5a C 24.3207 -29.7101
21 C8y C 23.1022 -30.4211
22 O5a O 24.3149 -28.2802
23 C8x C 21.8974 -29.7332
24 C8y C 20.6884 -30.4390
25 C8y C 20.6951 -31.8390
26 C8x C 21.8999 -32.5269
27 C8x C 23.1090 -31.8211
28 C1a C 19.5001 -32.5369
29 C3b C 19.5013 -29.7610
30 C3b C 18.2888 -29.0610
31 C8y C 17.0764 -28.3610
32 C8x C 17.0548 -26.9502
33 N5x N 15.7070 -26.5340
34 C8y C 14.8946 -27.6872
35 N4y N 15.7404 -28.8162
36 C8x C 13.5046 -27.8539
37 C8x C 12.9539 -29.1411
38 C8x C 13.7997 -30.2700
39 N5x N 15.1897 -30.1033
BOND 43
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 1 8 1
9 8 9 1
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 13 14 1
15 9 14 2
16 10 15 1
17 15 16 1
18 15 17 1
19 15 18 1
20 12 19 1
21 19 20 1
22 20 21 1
23 20 22 2
24 21 23 2
25 23 24 1
26 24 25 2
27 25 26 1
28 26 27 2
29 21 27 1
30 25 28 1
31 24 29 1
32 29 30 3
33 30 31 1
34 31 32 2
35 32 33 1
36 33 34 2
37 34 35 1
38 31 35 1
39 34 36 1
40 36 37 2
41 37 38 1
42 38 39 2
43 35 39 1
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