| Entry |
|
|---|
| Name |
Teriflunomide (USAN);
Aubagio (TN)
|
|---|
| Product |
|
|---|
| Formula |
C12H9F3N2O2
|
|---|
| Exact mass |
270.0616
|
|---|
| Mol weight |
270.2073
|
|---|
| Structure |
     |
|---|
| Activity |
Treatment of multiple sclerosis
|
|---|
| Comment |
Teriflunomide is the active metabolite of Leflunomide [DR: D00749]
|
|---|
| Target |
dihydroorotate dehydrogenase (DHODH) inhibitor [HSA: 1723] [KO: K00254] |
|---|
| Pathway |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases
dihydroorotate dehydrogenase (DHODH) [HSA:1723] [KO:K00254]
Teriflunomide
D10172 Teriflunomide (USAN)
 |
|---|
| Other DBs |
CAS: 163451-81-8 PubChem: PDB-CCD: LigandBox: |
|---|
| KCF data |
ATOM 19
1 C8y C 21.6300 -21.7700
2 C8x C 21.6300 -20.3700
3 C8x C 22.8200 -19.6700
4 C8y C 24.0800 -20.3700
5 C8x C 24.0800 -21.7700
6 C8x C 22.8200 -22.4700
7 C1d C 25.2700 -19.6700
8 N1b N 20.4400 -22.4700
9 C5a C 19.2500 -21.7700
10 C2c C 18.0600 -22.4700
11 O5a O 19.2500 -20.3700
12 C2c C 16.8700 -21.7700
13 C3b C 18.0600 -23.8700
14 N3a N 18.0600 -25.2700
15 C1a C 15.6800 -22.4700
16 O1a O 16.8700 -20.3700
17 X F 26.5300 -18.9700
18 X F 25.9700 -20.8600
19 X F 24.5700 -18.4800
BOND 19
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 1 8 1
9 8 9 1
10 9 10 1
11 9 11 2
12 10 12 2
13 10 13 1
14 13 14 3
15 12 15 1
16 12 16 1
17 7 17 1
18 7 18 1
19 7 19 1
|
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