| Entry |
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| Name |
Ezetimibe (JAN/USAN/INN);
Zetia (TN)
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| Product |
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| Formula |
C24H21F2NO3
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| Exact mass |
409.149
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| Mol weight |
409.4252
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| Structure |
     |
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| Activity |
Antihyperlipidemic [intestinal cholesterol absorption inhibitor]
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| Remark |
Therapeutic category: ATC code: |
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| Target |
NPC1L1 (Niemann-Pick C1 like 1) inhibitor [HSA: 29881] [KO: K14461] |
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| Pathway |
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| Metabolism |
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| Interaction |
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| Structure map |
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| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
21 Cardiovascular agents
218 Hyperlipidemia agents
2189 Others
D01966 Ezetimibe (JAN/USAN/INN)
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C10 LIPID MODIFYING AGENTS
C10A LIPID MODIFYING AGENTS, PLAIN
C10AX Other lipid modifying agents
C10AX09 Ezetimibe
D01966 Ezetimibe (JAN/USAN/INN)
USP drug classification [BR:br08302]
Cardiovascular Agents
Dyslipidemics, Other
Ezetimibe
D01966 Ezetimibe (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
Transporters
Others
NPC1L1 (Niemann-Pick C1 like protein 1) [HSA:29881] [KO:K14461] [TC:2.A.6.6.6]
Ezetimibe [ATC:C10AX09]
D01966 Ezetimibe (JAN/USAN/INN)
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| Other DBs |
CAS: 163222-33-1 PubChem: DrugBank: LigandBox: |
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| KCF data |
ATOM 30
1 C1y C 13.5100 -21.2800
2 C5x C 13.5100 -22.6800
3 N1y N 14.9100 -22.6800
4 C1y C 14.9100 -21.2800
5 O5x O 12.3200 -23.3800
6 C8y C 16.1000 -23.3800
7 C8x C 16.1000 -24.7800
8 C8x C 17.3600 -25.4800
9 C8y C 18.5500 -24.7800
10 C8x C 18.5500 -23.3800
11 C8x C 17.3600 -22.6800
12 X F 19.7400 -25.4800
13 C8y C 16.1000 -20.5800
14 C8x C 17.2900 -21.2800
15 C8x C 18.5500 -20.5800
16 C8y C 18.5500 -19.1800
17 C8x C 17.3600 -18.4800
18 C8x C 16.1000 -19.1800
19 O1a O 19.7400 -18.4800
20 C1b C 12.3200 -20.5800
21 C1b C 11.1300 -21.2800
22 C1c C 9.9400 -20.5800
23 C8y C 8.7500 -21.2800
24 O1a O 9.9400 -19.1800
25 C8x C 7.5600 -20.5800
26 C8x C 6.3000 -21.2800
27 C8y C 6.3000 -22.6800
28 C8x C 7.4900 -23.3800
29 C8x C 8.7500 -22.6800
30 X F 5.1100 -23.3800
BOND 33
1 1 2 1
2 2 3 1
3 3 4 1
4 1 4 1
5 5 2 2
6 3 6 1
7 6 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 6 11 1
13 9 12 1
14 4 13 1 #Up
15 13 14 2
16 14 15 1
17 15 16 2
18 16 17 1
19 17 18 2
20 13 18 1
21 16 19 1
22 1 20 1 #Down
23 20 21 1
24 21 22 1
25 22 23 1
26 22 24 1 #Up
27 23 25 2
28 25 26 1
29 26 27 2
30 27 28 1
31 28 29 2
32 23 29 1
33 27 30 1
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