| Entry |
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| Name |
Momelotinib dihydrochloride (USAN) |
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| Formula |
C23H22N6O2. 2HCl
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| Exact mass |
486.1338
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| Mol weight |
487.3817
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| Structure |
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| Simcomp |
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| Class |
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG02918 CYP2C8 substrate
DG01642 CYP2C9 substrate
DG01639 CYP2C19 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
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| Remark |
| Product (DG01366): | D10889<US> |
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| Efficacy |
Antineoplastic, Janus kinase (JAK) inhibitor |
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| Comment |
Treatment of myeloproliferative neoplasms
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| Target |
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2C8 [HSA: 1558], CYP2C9 [HSA: 1559], CYP2C19 [HSA: 1557], CYP1A2 [HSA: 1544]
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| 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
L01EJ Janus-associated kinase (JAK) inhibitors
L01EJ04 Momelotinib
D10358 Momelotinib dihydrochloride (USAN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG01366 Momelotinib
D10358 Momelotinib dihydrochloride
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01366 Momelotinib
D10358 Momelotinib dihydrochloride
DG02918 CYP2C8 substrate
DG01366 Momelotinib
D10358 Momelotinib dihydrochloride
DG01642 CYP2C9 substrate
DG01366 Momelotinib
D10358 Momelotinib dihydrochloride
DG01639 CYP2C19 substrate
DG01366 Momelotinib
D10358 Momelotinib dihydrochloride
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01366 Momelotinib
D10358 Momelotinib dihydrochloride
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK1
D10358 Momelotinib dihydrochloride (USAN)
JAK2
D10358 Momelotinib dihydrochloride (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10358
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG01366 Momelotinib
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01366 Momelotinib
DG02918 CYP2C8 substrate
DG01366 Momelotinib
DG01642 CYP2C9 substrate
DG01366 Momelotinib
DG01639 CYP2C19 substrate
DG01366 Momelotinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01366 Momelotinib
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 33
1 C1x C 8.3427 -18.3059
2 O2x O 8.3427 -19.7084
3 C1x C 9.5572 -20.4096
4 C1x C 10.7719 -19.7084
5 N1y N 10.7719 -18.3059
6 C1x C 9.5572 -17.6046
7 C8y C 12.0052 -17.5936
8 C8x C 13.2126 -18.2905
9 C8x C 14.4271 -17.5892
10 C8y C 14.4271 -16.1867
11 C8x C 13.2197 -15.4897
12 C8x C 12.0051 -16.1911
13 N1b N 15.6471 -15.4820
14 C8y C 16.8613 -16.1828
15 N5x N 16.8619 -17.6042
16 C8x C 18.0768 -18.3049
17 C8x C 19.2912 -17.6031
18 C8y C 19.2905 -16.1817
19 N5x N 18.0756 -15.4810
20 C8y C 20.4898 -15.4887
21 C8x C 21.6982 -16.1860
22 C8x C 22.9125 -15.4844
23 C8y C 22.9122 -14.0819
24 C8x C 21.7039 -13.3847
25 C8x C 20.4894 -14.0862
26 C5a C 24.1317 -13.3773
27 N1b N 25.3469 -14.0783
28 C1b C 26.5272 -13.3963
29 C3b C 27.7257 -14.0879
30 O5a O 24.1311 -11.9946
31 N3a N 28.9381 -14.7879
32 X Cl 26.2500 -19.1100
33 X Cl 26.2500 -19.1100
BOND 34
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 5 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 10 11 1
12 11 12 2
13 7 12 1
14 10 13 1
15 13 14 1
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 18 19 1
21 14 19 2
22 18 20 1
23 20 21 2
24 21 22 1
25 22 23 2
26 23 24 1
27 24 25 2
28 20 25 1
29 23 26 1
30 26 27 1
31 27 28 1
32 28 29 1
33 26 30 2
34 29 31 3
BRACKET 1 24.3600 -20.1600 24.3600 -17.9200
1 27.3000 -17.9200 27.3000 -20.1600
1 2
ORIGINAL 1 32
REPEAT 1 33
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