| Entry |
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| Name |
Avatrombopag (USAN/INN) |
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| Formula |
C29H34Cl2N6O3S2
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| Exact mass |
648.1511
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| Mol weight |
649.66
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| Structure |
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| Simcomp |
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| Class |
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
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| Remark |
| Product (DG01976): | D10307<JP/US> |
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| Efficacy |
Antithrombocytopenia, Thrombopoietin receptor agonist |
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| Target |
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| Pathway |
| hsa04060 | Cytokine-cytokine receptor interaction |
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2C9 [HSA: 1559]
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
B BLOOD AND BLOOD FORMING ORGANS
B02 ANTIHEMORRHAGICS
B02B VITAMIN K AND OTHER HEMOSTATICS
B02BX Other systemic hemostatics
B02BX08 Avatrombopag
D10306 Avatrombopag (USAN/INN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG01976 Avatrombopag
D10306 Avatrombopag
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01976 Avatrombopag
D10306 Avatrombopag
Target-based classification of drugs [BR:br08310]
Cytokines and receptors
Cytokine receptors
CSF and other factor receptors
MPL (TPOR, CD110)
D10306 Avatrombopag (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10306
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG01976 Avatrombopag
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01976 Avatrombopag
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 42
1 C8y C 15.3300 -32.7600
2 N5x N 16.7300 -32.7600
3 C8y C 17.1500 -31.4300
4 S2x S 16.0300 -30.5900
5 C8y C 14.9100 -31.4300
6 N1y N 13.6500 -30.7300
7 C1x C 12.4600 -31.4300
8 C5a C 19.6000 -31.4300
9 N1b N 18.4100 -30.7300
10 C1x C 13.6500 -29.3300
11 C1x C 12.4600 -28.6300
12 N1y N 11.2700 -29.3300
13 C1x C 11.2700 -30.7300
14 C8y C 20.7900 -30.7300
15 C8x C 21.9800 -31.4300
16 C8y C 23.2400 -30.7300
17 C8y C 23.2400 -29.3300
18 N5x N 21.9800 -28.6300
19 C8x C 20.7900 -29.3300
20 C1y C 10.0547 -28.6349
21 C1x C 10.0489 -27.2303
22 C1x C 8.8336 -26.5353
23 C1x C 7.6241 -27.2403
24 C1x C 7.6299 -28.6449
25 C1x C 8.8452 -29.3399
26 C8y C 14.5024 -33.8892
27 S2x S 13.0900 -33.8834
28 C8x C 12.6481 -35.2250
29 C8y C 13.7873 -36.0598
30 C8x C 14.9334 -35.2343
31 X Cl 13.7817 -37.4500
32 O5a O 19.6000 -32.8300
33 X Cl 24.4466 -31.4400
34 N1y N 24.4466 -28.6200
35 C1x C 25.6563 -29.3053
36 C1x C 26.8630 -28.5955
37 C1y C 26.8516 -27.1955
38 C1x C 25.6419 -26.5102
39 C1x C 24.4352 -27.2201
40 C6a C 28.0636 -26.4823
41 O6a O 29.2770 -27.1693
42 O6a O 28.0516 -25.0601
BOND 47
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 1 5 2
6 5 6 1
7 6 7 1
8 8 9 1
9 3 9 1
10 6 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 7 13 1
15 8 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 12 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 24 25 1
28 20 25 1
29 1 26 1
30 26 27 1
31 27 28 1
32 28 29 2
33 29 30 1
34 26 30 2
35 29 31 1
36 8 32 2
37 16 33 1
38 17 34 1
39 34 35 1
40 35 36 1
41 36 37 1
42 37 38 1
43 38 39 1
44 34 39 1
45 37 40 1
46 40 41 1
47 40 42 2
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