| Entry |
|
|---|
| Name |
Momelotinib (USAN/INN) |
|---|
| Formula |
C23H22N6O2
|
|---|
| Exact mass |
414.1804
|
|---|
| Mol weight |
414.46
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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
|
|---|
| Remark |
| Product (DG01366): | D10889<JP/US> |
|
|---|
| Efficacy |
Antineoplastic, Janus kinase (JAK) inhibitor |
|---|
| Comment |
Treatment of myeloproliferative neoplasms
|
|---|
| Target |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP2C8 [HSA: 1558], CYP2C9 [HSA: 1559], CYP2C19 [HSA: 1557], CYP1A2 [HSA: 1544]
|
|---|
| Interaction |
|
|---|
| 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
D10315 Momelotinib (USAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG01366 Momelotinib
D10315 Momelotinib
Metabolizing enzyme substrate
DG01892 CYP1A2 substrate
DG01366 Momelotinib
D10315 Momelotinib
DG02918 CYP2C8 substrate
DG01366 Momelotinib
D10315 Momelotinib
DG01642 CYP2C9 substrate
DG01366 Momelotinib
D10315 Momelotinib
DG01639 CYP2C19 substrate
DG01366 Momelotinib
D10315 Momelotinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG01366 Momelotinib
D10315 Momelotinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK1
D10315 Momelotinib (USAN/INN)
JAK2
D10315 Momelotinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10315
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
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 31
1 C1x C 8.3402 -18.2953
2 O2x O 8.3402 -19.6969
3 C1x C 9.5540 -20.3977
4 C1x C 10.7679 -19.6969
5 N1y N 10.7679 -18.2953
6 C1x C 9.5540 -17.5944
7 C8y C 12.0004 -17.5834
8 C8x C 13.2070 -18.2799
9 C8x C 14.4208 -17.5790
10 C8y C 14.4208 -16.1774
11 C8x C 13.2141 -15.4809
12 C8x C 12.0003 -16.1818
13 N1b N 15.6401 -15.4732
14 C8y C 16.8535 -16.1735
15 N5x N 16.8541 -17.5940
16 C8x C 18.0682 -18.2943
17 C8x C 19.2818 -17.5929
18 C8y C 19.2811 -16.1724
19 N5x N 18.0670 -15.4722
20 C8y C 20.4797 -15.4799
21 C8x C 21.6873 -16.1767
22 C8x C 22.9009 -15.4756
23 C8y C 22.9006 -14.0739
24 C8x C 21.6930 -13.3771
25 C8x C 20.4793 -14.0783
26 C5a C 24.1193 -13.3697
27 N1b N 25.3337 -14.0703
28 O5a O 24.1187 -11.9879
29 C1b C 26.5133 -13.3887
30 C3b C 27.7111 -14.0800
31 N3a N 28.9249 -14.7808
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 26 28 2
32 27 29 1
33 29 30 1
34 30 31 3
|
|---|