| Entry |
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| Name |
Ozanimod (USAN/INN) |
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| Formula |
C23H24N4O3
|
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| Exact mass |
404.1848
|
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| Mol weight |
404.4617
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| Structure |
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| Simcomp |
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| Remark |
| Product (DG02827): | D10967<US> |
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| Efficacy |
Anti-ulcerative, Sphingosine-1-phosphate receptor modulator |
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| Comment |
Treatment of relapsing multiple sclerosis, ulcerative colitis
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| Target |
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
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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
L04AE02 Ozanimod
D10968 Ozanimod (USAN/INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Sphingolipid
S1PR
D10968 Ozanimod (USAN/INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 C8x C 10.3600 -14.5600
2 C8y C 10.3600 -15.9600
3 C8y C 11.5724 -16.6600
4 C8x C 12.7849 -15.9600
5 C8y C 12.7849 -14.5600
6 C8x C 11.5724 -13.8600
7 C3b C 11.5724 -18.0600
8 N3a N 11.5724 -19.4600
9 O2a O 9.1476 -16.6600
10 C1c C 7.9521 -15.9696
11 C1a C 6.7647 -16.6551
12 C1a C 7.9520 -14.5603
13 C8y C 14.0160 -13.8490
14 N5x N 15.2856 -14.4142
15 C8y C 16.2155 -13.3813
16 N5x N 15.5206 -12.1778
17 O2x O 14.1612 -12.4668
18 C8y C 17.6155 -13.3813
19 C8y C 18.3166 -14.5957
20 C8y C 19.7166 -14.5957
21 C8x C 20.4166 -13.3833
22 C8x C 19.7156 -12.1689
23 C8x C 18.3156 -12.1689
24 C1x C 17.8839 -15.9271
25 C1x C 19.0165 -16.7501
26 C1y C 20.1492 -15.9272
27 N1b N 21.4999 -16.3657
28 C1b C 22.7024 -15.6800
29 C1b C 23.9149 -16.3800
30 O1a O 25.1273 -15.6800
BOND 33
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 3 7 1
8 7 8 3
9 2 9 1
10 9 10 1
11 10 11 1
12 10 12 1
13 5 13 1
14 13 14 2
15 14 15 1
16 15 16 2
17 16 17 1
18 13 17 1
19 15 18 1
20 18 19 1
21 19 20 2
22 20 21 1
23 21 22 2
24 22 23 1
25 18 23 2
26 19 24 1
27 24 25 1
28 25 26 1
29 20 26 1
30 26 27 1 #Up
31 27 28 1
32 28 29 1
33 29 30 1
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