| Entry |
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| Name |
Ruxolitinib (USAN/INN) |
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| Formula |
C17H18N6
|
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| Exact mass |
306.1593
|
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| Mol weight |
306.365
|
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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
DG01642 CYP2C9 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
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| Remark |
| Product (DG00719): | D09960<JP/US> |
|
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| Efficacy |
Antineoplastic, Janus kinase (JAK) inhibitor |
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| Target |
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| Pathway |
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]; CYP2C9 [HSA: 1559]
|
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| Interaction |
|
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| Structure map |
| map07045 | Antineoplastics - protein kinase inhibitors |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D11 OTHER DERMATOLOGICAL PREPARATIONS
D11A OTHER DERMATOLOGICAL PREPARATIONS
D11AH Agents for dermatitis, excluding corticosteroids
D11AH09 Ruxolitinib
D09959 Ruxolitinib (USAN/INN)
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L01 ANTINEOPLASTIC AGENTS
L01E PROTEIN KINASE INHIBITORS
L01EJ Janus-associated kinase (JAK) inhibitors
L01EJ01 Ruxolitinib
D09959 Ruxolitinib (USAN/INN)
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG00719 Ruxolitinib
D09959 Ruxolitinib
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00719 Ruxolitinib
D09959 Ruxolitinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00719 Ruxolitinib
D09959 Ruxolitinib
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK1
D09959 Ruxolitinib (USAN/INN)
JAK2
D09959 Ruxolitinib (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09959
Drug groups [BR:br08330]
Anti-inflammatory
DG01985 Disease modifying anti-rheumatic drug (DMARD)
DG02020 JAK inhibitor
DG00719 Ruxolitinib
Metabolizing enzyme substrate
DG01642 CYP2C9 substrate
DG00719 Ruxolitinib
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00719 Ruxolitinib
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| Other DBs |
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| KCF data |
ATOM 23
1 C8x C 19.8100 -17.0100
2 N5x N 19.8100 -18.4100
3 C8y C 21.0000 -19.1100
4 C8y C 22.2600 -18.4100
5 C8y C 22.2600 -17.0100
6 N5x N 21.0000 -16.3100
7 C8x C 23.5900 -18.8300
8 C8x C 24.3600 -17.7100
9 N4x N 23.5900 -16.5900
10 C8y C 21.0000 -20.5100
11 C8x C 19.8800 -21.3500
12 N4y N 20.3000 -22.6800
13 N5x N 21.7000 -22.6800
14 C8x C 22.1900 -21.3500
15 C1b C 17.9200 -22.6800
16 C1c C 19.1100 -23.3800
17 C1y C 19.1100 -24.7800
18 C3b C 17.9314 -21.2800
19 N3a N 17.9314 -19.8800
20 C1x C 17.9774 -25.6029
21 C1x C 18.4100 -26.9344
22 C1x C 19.8100 -26.9344
23 C1x C 20.2426 -25.6029
BOND 26
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 5 9 1
11 3 10 1
12 10 11 2
13 11 12 1
14 12 13 1
15 13 14 2
16 10 14 1
17 15 16 1
18 16 12 1
19 16 17 1 #Up
20 15 18 1
21 18 19 3
22 17 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 17 23 1
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