| Entry |
|
|---|
| Name |
Etrasimod arginine (USAN);
Etrasimod L-arginine (JAN);
Velsipity (TN) |
|---|
| Product |
|
|---|
| Formula |
C26H26F3NO3. C6H14N4O2
|
|---|
| Exact mass |
631.2982
|
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| Mol weight |
631.6857
|
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| Structure |
|
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| Class |
|
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| Remark |
| Product (DG02444): | D10931<US> |
|
|---|
| Efficacy |
Anti-inflammatory disease, Sphingosine-1-phosphate receptor modulator |
|---|
| Disease |
Ulcerative colitis [DS: H01466] |
|---|
| Comment |
Treatment of autoimmune and inflammatory disease
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| Metabolism |
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
L04 IMMUNOSUPPRESSANTS
L04A IMMUNOSUPPRESSANTS
L04AE Sphingosine-1-phosphate (S1P) receptor modulators
L04AE05 Etrasimod
D10931 Etrasimod arginine (USAN) <US>
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG02444 Etrasimod
D10931 Etrasimod arginine
DG01642 CYP2C9 substrate
DG02444 Etrasimod
D10931 Etrasimod arginine
DG01639 CYP2C19 substrate
DG02444 Etrasimod
D10931 Etrasimod arginine
DG02954 CYP2J2 substrate
DG02444 Etrasimod
D10931 Etrasimod arginine
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02444 Etrasimod
D10931 Etrasimod arginine
DG02924 UGT substrate
DG02444 Etrasimod
D10931 Etrasimod arginine
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Sphingolipid
S1PR1
D10931 Etrasimod arginine (USAN) <US>
S1PR4
D10931 Etrasimod arginine (USAN) <US>
S1PR5
D10931 Etrasimod arginine (USAN) <US>
New drug approvals in the USA [br08319.html]
New molecular entities and new therapeutic biological products
D10931
New drug approvals in Europe [br08329.html]
European public assessment reports (EPAR) authorised medicine
D10931
New drug approvals in the USA, Europe and Japan [br08328.html]
Approval dates by FDA, EMA and PMDA
D10931
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10931
Pharmacogenomic biomarkers [br08341.html]
Polymorphisms and mutations affecting drug response
D10931
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG02918 CYP2C8 substrate
DG02444 Etrasimod
DG01642 CYP2C9 substrate
DG02444 Etrasimod
DG01639 CYP2C19 substrate
DG02444 Etrasimod
DG02954 CYP2J2 substrate
DG02444 Etrasimod
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02444 Etrasimod
DG02924 UGT substrate
DG02444 Etrasimod
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 45
1 C8y C 21.0857 -17.3780
2 C8y C 21.0857 -18.7795
3 N4x N 22.4186 -19.2126
4 C8y C 23.2424 -18.0787
5 C8y C 22.4186 -16.9449
6 C8x C 19.8720 -16.6773
7 C8y C 18.6582 -17.3780
8 C8x C 18.6582 -18.7795
9 C8x C 19.8720 -19.4802
10 O2a O 17.4258 -16.6662
11 C1b C 16.2193 -17.3627
12 C8y C 15.0357 -16.6792
13 C8x C 15.0358 -15.2760
14 C8x C 13.8221 -14.5751
15 C8y C 12.6083 -15.2758
16 C8y C 12.6082 -16.6790
17 C8x C 13.8219 -17.3798
18 C1y C 11.3935 -14.5741
19 C1x C 11.2474 -13.1836
20 C1x C 9.8798 -12.8927
21 C1x C 9.1806 -14.1035
22 C1x C 10.1160 -15.1427
23 C1d C 11.3940 -17.3798
24 X F 10.1803 -18.0805
25 X F 10.6932 -16.1661
26 X F 12.0947 -18.5936
27 C1y C 24.5753 -17.6457
28 C1x C 24.5753 -16.2442
29 C1x C 23.2424 -15.8110
30 C1b C 25.7244 -18.4805
31 C6a C 26.9863 -17.9188
32 O6a O 28.1199 -18.7426
33 O6a O 27.1305 -16.5461
34 C1b C 35.0066 -16.4539
35 C1b C 36.2669 -17.1540
36 C1c C 33.8163 -17.0840
37 C1b C 37.4572 -16.4539
38 C6a C 32.6261 -16.3838
39 N1a N 33.8163 -18.4843
40 N1b N 38.6475 -17.1540
41 O6a O 31.4358 -17.0140
42 O6a O 32.6261 -14.9835
43 C2c C 39.9078 -16.5239
44 N1a N 41.1681 -17.2240
45 N2a N 39.9078 -15.0535
BOND 48
1 1 2 2
2 2 3 1
3 3 4 1
4 4 5 2
5 1 5 1
6 1 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 2 9 1
11 7 10 1
12 10 11 1
13 11 12 1
14 12 13 2
15 13 14 1
16 14 15 2
17 15 16 1
18 16 17 2
19 12 17 1
20 15 18 1
21 18 19 1
22 19 20 1
23 20 21 1
24 21 22 1
25 18 22 1
26 16 23 1
27 23 24 1
28 23 25 1
29 23 26 1
30 4 27 1
31 27 28 1
32 28 29 1
33 5 29 1
34 27 30 1 #Down
35 30 31 1
36 31 32 1
37 31 33 2
38 34 35 1
39 34 36 1
40 35 37 1
41 36 38 1
42 36 39 1 #Down
43 37 40 1
44 38 41 1
45 38 42 2
46 40 43 1
47 43 44 1
48 43 45 2
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