| Entry |
|
|---|
| Name |
Tofacitinib citrate (JAN/USAN);
Tasocitinib citrate;
Xeljanz (TN) |
|---|
| Product |
|
|---|
| Formula |
C16H20N6O. C6H8O7
|
|---|
| Exact mass |
504.1969
|
|---|
| Mol weight |
504.4931
|
|---|
| Structure |
|
|---|
| Class |
Other
DG02020 Janus kinase inhibitor
Metabolizing enzyme substrate
DG01639 CYP2C19 substrate
DG02913 CYP3A4 substrate
|
|---|
| Remark |
| Therapeutic category: | 3999 |
| Product (DG00742): | D09783<JP/US> |
|
|---|
| Efficacy |
Antirheumatic, Janus kinase (JAK) inhibitor |
|---|
| Disease |
Rheumatoid arthritis [DS: H00630] Psoriatic arthritis [DS: H01656] |
|---|
| Comment |
Treatment of immunological disorders
|
|---|
| Target |
|
|---|
| Pathway |
|
|---|
| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]; CYP2C19 [HSA: 1557]
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07050 | Antirheumatics - DMARDs and biological agents |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 IMMUNOSUPPRESSANTS
L04A IMMUNOSUPPRESSANTS
L04AA Selective immunosuppressants
L04AA29 Tofacitinib
D09783 Tofacitinib citrate (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
Immunological Agents
Immunological Agents, Other
JAK Inhibitor
Tofacitinib
D09783 Tofacitinib citrate (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
3 Agents affecting metabolism
39 Other agents affecting metabolism
399 Miscellaneous
3999 Others
D09783 Tofacitinib citrate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
Protein kinases
Non-receptor tyrosine kinases
JAK family
JAK1
D09783 Tofacitinib citrate (JAN/USAN) <JP/US>
JAK2
D09783 Tofacitinib citrate (JAN/USAN) <JP/US>
JAK3
D09783 Tofacitinib citrate (JAN/USAN) <JP/US>
TYK2
D09783 Tofacitinib citrate (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D09783
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D09783
New drug approvals in Japan [br08318.html]
Drugs with new active ingredients
D09783
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D09783
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09783
|
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| Other DBs |
|
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| LinkDB |
|
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| KCF data |
ATOM 36
1 C1x C 24.2200 -16.0300
2 N1y N 24.2200 -17.4300
3 C1x C 25.4324 -18.1300
4 C1y C 26.6449 -17.4300
5 C1y C 26.6449 -16.0300
6 C1x C 25.4324 -15.3300
7 C5a C 23.0076 -18.1300
8 C1b C 21.8121 -17.4396
9 C3b C 20.6247 -18.1251
10 O5a O 23.0075 -19.5298
11 N3a N 19.4123 -18.8251
12 C1a C 27.8760 -15.3190
13 N1c N 27.8760 -18.1410
14 C1a C 29.0812 -17.4453
15 C8y C 27.8757 -19.5299
16 N5x N 26.6514 -20.2366
17 C8x C 26.6512 -21.6366
18 N5x N 27.8635 -22.3367
19 C8y C 29.0879 -21.6301
20 C8y C 29.0881 -20.2301
21 N4x N 30.4193 -22.0629
22 C8x C 31.2424 -20.9304
23 C8x C 30.4196 -19.7976
24 C6a C 34.0900 -17.9900
25 C1b C 35.3024 -18.6900
26 O6a O 32.8776 -18.6900
27 O6a O 34.0900 -16.5900
28 C1d C 36.4979 -17.9996
29 C1b C 37.6853 -18.6851
30 C6a C 37.6853 -20.0851
31 O6a O 36.4518 -20.7974
32 O6a O 38.8807 -20.7754
33 C6a C 37.1979 -16.7872
34 O6a O 36.4979 -15.5747
35 O6a O 38.5699 -16.7874
36 O1a O 35.7979 -16.7872
BOND 37
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 2 7 1
8 7 8 1
9 8 9 1
10 7 10 2
11 9 11 3
12 5 12 1 #Up
13 4 13 1 #Up
14 13 14 1
15 13 15 1
16 15 16 2
17 16 17 1
18 17 18 2
19 18 19 1
20 19 20 2
21 15 20 1
22 19 21 1
23 21 22 1
24 22 23 2
25 20 23 1
26 24 25 1
27 24 26 1
28 24 27 2
29 25 28 1
30 28 29 1
31 29 30 1
32 30 31 2
33 30 32 1
34 28 33 1
35 33 34 1
36 33 35 2
37 28 36 1
|
|---|
