| Entry |
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| Name |
Eliglustat (USAN/INN) |
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| Formula |
C23H36N2O4
|
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| Exact mass |
404.2675
|
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| Mol weight |
404.54
|
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| Structure |
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| Class |
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
|
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| Remark |
| Product (DG00148): | D09894<JP/US> |
|
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| Efficacy |
Glucosylceramide synthase inhibitor |
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| Comment |
Treatment of lysosomal storage disorders
|
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| Target |
|
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| Pathway |
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| Metabolism |
Enzyme: CYP2D6 [HSA: 1565]; CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243]
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A16 OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16A OTHER ALIMENTARY TRACT AND METABOLISM PRODUCTS
A16AX Various alimentary tract and metabolism products
A16AX10 Eliglustat
D09893 Eliglustat (USAN/INN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00148 Eliglustat
D09893 Eliglustat
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00148 Eliglustat
D09893 Eliglustat
Transporter substrate
DG01665 ABCB1 substrate
DG00148 Eliglustat
D09893 Eliglustat
Target-based classification of drugs [BR:br08310]
Enzymes
Transferases (EC2)
Hexosyltransferases
UGCG
D09893 Eliglustat (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D09893
Drug transporters
D09893
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01644 CYP2D6 substrate
DG00148 Eliglustat
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00148 Eliglustat
Transporter substrate
DG01665 ABCB1 substrate
DG00148 Eliglustat
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| Other DBs |
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| KCF data |
ATOM 29
1 C8y C 31.6400 -19.6700
2 C8y C 31.6400 -21.0700
3 O2x O 32.8300 -21.7700
4 C1x C 34.0900 -21.0700
5 C1x C 34.0900 -19.6700
6 O2x O 32.8300 -18.9700
7 C8x C 30.4500 -18.9700
8 C8x C 29.1900 -19.6700
9 C8y C 29.1900 -21.0700
10 C8x C 30.4500 -21.7700
11 C1c C 28.0000 -21.7700
12 C1c C 26.8100 -21.0700
13 N1b N 25.6200 -21.7700
14 C1b C 26.8100 -19.6700
15 C5a C 24.4300 -21.0700
16 C1b C 23.2400 -21.7700
17 O5a O 24.4300 -19.6700
18 C1b C 22.0500 -21.0700
19 C1b C 20.8600 -21.7700
20 C1b C 19.6700 -21.0700
21 C1b C 18.4800 -21.7700
22 C1b C 17.2900 -21.0700
23 C1a C 16.1000 -21.7700
24 O1a O 28.0000 -23.1700
25 C1x C 27.9300 -17.4300
26 N1y N 27.9300 -18.8300
27 C1x C 29.2600 -19.2500
28 C1x C 30.1000 -18.1300
29 C1x C 29.2600 -17.0100
BOND 31
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 1 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 2 10 2
12 9 11 1
13 11 12 1
14 12 13 1
15 12 14 1 #Down
16 13 15 1
17 15 16 1
18 15 17 2
19 16 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 11 24 1 #Up
26 25 26 1
27 26 27 1
28 27 28 1
29 28 29 1
30 25 29 1
31 26 14 1
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