| Entry |
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| Name |
Atorvastatin (INN);
Lipitor (TN);
Sortis (TN) |
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| Product |
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| Generic |
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| Formula |
C33H35FN2O5
|
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| Exact mass |
558.2530
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| Mol weight |
558.64
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| Structure |
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| Simcomp |
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| Class |
Hypolipidemic agent
DG01946 Hypolipidemic agent
DG01660 HMG-CoA reductase inhibitor
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
Transporter substrate
DG01665 ABCB1 substrate
DG01913 ABCG2 substrate
DG02856 SLCO1B1 substrate
DG02932 SLCO1B3 substrate
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| Remark |
| Product (DG00355): | D07474<US> D02258<JP/US> D11095<US> |
| Product (mixture): | D10385<JP/US> |
|
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| Efficacy |
Antihyperlipidemic, HMG-CoA reductase inhibitor |
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| Target |
|
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| Pathway |
| hsa00900 | Terpenoid backbone biosynthesis |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
Transporter: ABCB1 [HSA: 5243], ABCG2 [HSA: 9429], SLCO1B1 [HSA: 10599], SLCO1B3 [HSA: 28234]
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| Interaction |
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| Structure map |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
C CARDIOVASCULAR SYSTEM
C10 LIPID MODIFYING AGENTS
C10A LIPID MODIFYING AGENTS, PLAIN
C10AA HMG CoA reductase inhibitors
C10AA05 Atorvastatin
D07474 Atorvastatin (INN) <US>
USP drug classification [BR:br08302]
Cardiovascular Agents
Dyslipidemics, HMG CoA Reductase Inhibitors
Atorvastatin
D07474 Atorvastatin (INN)
Drug groups [BR:br08330]
Hypolipidemic agent
DG01946 Hypolipidemic agent
DG01660 HMG-CoA reductase inhibitor
DG00355 Atorvastatin
D07474 Atorvastatin
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00355 Atorvastatin
D07474 Atorvastatin
Transporter substrate
DG01665 ABCB1 substrate
DG00355 Atorvastatin
D07474 Atorvastatin
DG01913 ABCG2 substrate
DG00355 Atorvastatin
D07474 Atorvastatin
DG02856 SLCO1B1 substrate
DG00355 Atorvastatin
D07474 Atorvastatin
DG02932 SLCO1B3 substrate
DG00355 Atorvastatin
D07474 Atorvastatin
Drug classes [BR:br08332]
Cardiovascular agent
DG01946 Hypolipidemic agent
D07474 Atorvastatin
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
HMGCR
D07474 Atorvastatin (INN) <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07474
Drug transporters
D07474
Drug groups [BR:br08330]
Hypolipidemic agent
DG01946 Hypolipidemic agent
DG01660 HMG-CoA reductase inhibitor
DG00355 Atorvastatin
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00355 Atorvastatin
Transporter substrate
DG01665 ABCB1 substrate
DG00355 Atorvastatin
DG01913 ABCG2 substrate
DG00355 Atorvastatin
DG02856 SLCO1B1 substrate
DG00355 Atorvastatin
DG02932 SLCO1B3 substrate
DG00355 Atorvastatin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 41
1 C8y C 26.8100 -17.9900
2 C8y C 25.4100 -17.9900
3 C8y C 27.2300 -16.7300
4 C8y C 27.5800 -19.0400
5 N4y N 25.0600 -16.6600
6 C8y C 24.6400 -19.0400
7 C8y C 26.1100 -15.8900
8 C5a C 28.4900 -15.9600
9 C8x C 26.8800 -20.2300
10 C8x C 28.9100 -19.0400
11 C1b C 23.8000 -15.8200
12 C8x C 25.3400 -20.1600
13 C8x C 23.3100 -19.0400
14 C1c C 26.1100 -14.2100
15 N1b N 29.7500 -16.5900
16 O5a O 28.4900 -14.7000
17 C8x C 27.5800 -21.4200
18 C8x C 29.5400 -20.2300
19 C1b C 22.5400 -16.5900
20 C8x C 24.6400 -21.3500
21 C8x C 22.6100 -20.1600
22 C1a C 27.6500 -13.3700
23 C1a C 24.6400 -13.3700
24 C8y C 31.0100 -15.8200
25 C8x C 28.9100 -21.4200
26 C1c C 21.2800 -15.9600
27 C8y C 23.3100 -21.3500
28 C8x C 31.0100 -14.4900
29 C8x C 32.1300 -16.5200
30 C1b C 20.0200 -16.7300
31 O1a O 21.2800 -14.5600
32 X F 22.6100 -22.4700
33 C8x C 32.1300 -13.7900
34 C8x C 33.3200 -15.8200
35 C1c C 18.8300 -15.9600
36 C8x C 33.3200 -14.4900
37 C1b C 17.5000 -16.7300
38 O1a O 18.8300 -14.4900
39 C6a C 16.2400 -15.9600
40 O6a O 14.9800 -16.6600
41 O6a O 16.2400 -14.4900
BOND 44
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 6 12 2
12 6 13 1
13 7 14 1
14 8 15 1
15 8 16 2
16 9 17 2
17 10 18 1
18 11 19 1
19 12 20 1
20 13 21 2
21 14 22 1
22 14 23 1
23 15 24 1
24 17 25 1
25 19 26 1
26 20 27 2
27 24 28 2
28 24 29 1
29 26 30 1
30 26 31 1 #Down
31 27 32 1
32 28 33 1
33 29 34 2
34 30 35 1
35 33 36 2
36 35 37 1
37 35 38 1 #Down
38 37 39 1
39 39 40 1
40 39 41 2
41 5 7 1
42 18 25 2
43 21 27 1
44 34 36 1
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