| Entry |
|
|---|
| Name |
Bosutinib (USAN) |
|---|
| Formula |
C26H29Cl2N5O3
|
|---|
| Exact mass |
529.1647
|
|---|
| Mol weight |
530.4462
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Product (DG00718): | D09728<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Tyrosine kinase inhibitor |
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07045 | Antineoplastics - protein kinase inhibitors |
|
|---|
| 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
L01EA04 Bosutinib
D03252 Bosutinib (USAN)
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG00718 Bosutinib
D03252 Bosutinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00718 Bosutinib
D03252 Bosutinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
SRC family
SRC
D03252 Bosutinib (USAN)
ABL family
ABL1
D03252 Bosutinib (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D03252
Drug groups [BR:br08330]
Antineoplastic
DG01918 Tyrosine kinase inhibitor
DG03161 BCR-ABL inhibitor
DG00718 Bosutinib
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00718 Bosutinib
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 36
1 C8x C 9.8958 -21.5428
2 C8y C 9.8958 -22.9346
3 C8y C 11.1012 -23.6306
4 C8y C 12.3066 -22.9346
5 C8y C 12.3066 -21.5428
6 N5x N 11.1012 -20.8469
7 C8x C 13.5120 -23.6306
8 C8y C 14.7174 -22.9346
9 C8y C 14.7174 -21.5428
10 C8x C 13.5120 -20.8469
11 N1b N 11.1012 -25.0225
12 O2a O 15.9254 -20.8471
13 C1b C 17.1327 -21.5441
14 C8y C 12.3073 -25.7188
15 C8y C 12.3073 -27.1103
16 C8x C 13.5127 -27.8062
17 C8y C 14.7180 -27.1103
18 C8y C 14.7180 -25.7188
19 C8x C 13.5127 -25.0229
20 X Cl 15.9256 -27.8074
21 C1b C 18.3178 -20.8604
22 C1b C 19.5241 -21.5574
23 N1y N 20.6976 -20.8803
24 C1x C 21.8864 -21.5674
25 C1x C 23.0930 -20.8714
26 N1y N 23.0936 -19.4785
27 C1x C 21.9048 -18.7914
28 C1x C 20.6981 -19.4874
29 O2a O 15.9124 -23.6600
30 C1a C 17.1249 -22.9600
31 X Cl 11.1131 -27.7995
32 O2a O 15.9290 -25.0196
33 C1a C 17.1512 -25.7255
34 C3b C 8.6529 -23.6519
35 N3a N 7.4405 -24.3519
36 C1a C 24.3192 -18.7718
BOND 39
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 2
7 4 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 5 10 2
12 3 11 1
13 9 12 1
14 12 13 1
15 11 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 17 20 1
23 13 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 25 26 1
29 26 27 1
30 27 28 1
31 23 28 1
32 8 29 1
33 29 30 1
34 15 31 1
35 18 32 1
36 32 33 1
37 2 34 1
38 34 35 3
39 26 36 1
|
|---|
