| Entry |
|
|---|
| Name |
Ertugliflozin (USAN/INN) |
|---|
| Formula |
C22H25ClO7
|
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| Exact mass |
436.1289
|
|---|
| Mol weight |
436.8827
|
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| Structure |
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| Simcomp |
|
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| Class |
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| Remark |
| Product (DG02836): | D11043<US> |
| Product (mixture): | D11066<US> D11067<US> |
|
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| Efficacy |
Antidiabetic, SGLT-2 inhibitor |
|---|
| Comment |
Phlorizin derivative
Treatment of type 2 diabetes
|
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| Target |
|
|---|
| Metabolism |
Enzyme: UGT1A9 [HSA: 54600], UGT2B7 [HSA: 7364]
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| Interaction |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A10 DRUGS USED IN DIABETES
A10B BLOOD GLUCOSE LOWERING DRUGS, EXCL. INSULINS
A10BK Sodium-glucose co-transporter 2 (SGLT2) inhibitors
A10BK04 Ertugliflozin
D10313 Ertugliflozin (USAN/INN)
Drug groups [BR:br08330]
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01794 SGLT2 inhibitor
DG02836 Ertugliflozin
D10313 Ertugliflozin
Metabolizing enzyme substrate
DG02924 UGT substrate
DG03188 UGT1A9 substrate
DG02836 Ertugliflozin
D10313 Ertugliflozin
DG03190 UGT2B7 substrate
DG02836 Ertugliflozin
D10313 Ertugliflozin
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC5
SLC5A2 (SGLT2)
D10313 Ertugliflozin (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D10313
Drug groups [BR:br08330]
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01794 SGLT2 inhibitor
DG02836 Ertugliflozin
Metabolizing enzyme substrate
DG02924 UGT substrate
DG03188 UGT1A9 substrate
DG02836 Ertugliflozin
DG03190 UGT2B7 substrate
DG02836 Ertugliflozin
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 30
1 C8y C 17.9900 -18.1300
2 C8x C 17.9900 -19.5300
3 C8x C 19.1800 -20.2300
4 C8y C 20.4400 -19.5300
5 C8y C 20.4400 -18.1300
6 C8x C 19.1800 -17.4300
7 C1b C 21.6300 -17.4300
8 C8y C 22.8900 -18.1300
9 C8x C 22.8900 -19.5300
10 C8x C 24.0800 -20.2300
11 C8y C 25.2700 -19.5300
12 C8x C 25.2700 -18.1300
13 C8x C 24.0800 -17.4300
14 X Cl 21.6300 -20.2300
15 O2a O 26.4600 -20.2300
16 C1b C 27.6500 -19.5300
17 C1a C 28.8400 -20.2300
18 C1z C 16.8000 -17.4300
19 O2x O 16.8000 -16.0300
20 C1z C 15.5400 -15.3300
21 C1y C 14.3500 -16.0300
22 C1y C 14.3500 -17.4300
23 C1y C 15.5400 -18.1300
24 O1a O 15.5400 -19.5300
25 O1a O 13.1600 -15.3300
26 O1a O 13.1600 -18.1300
27 C1b C 15.5400 -13.9300
28 O1a O 16.8000 -13.2300
29 C1x C 17.0324 -14.4200
30 O2x O 18.5024 -16.3800
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 4 14 1
16 11 15 1
17 15 16 1
18 16 17 1
19 18 1 1 #Up
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 18 23 1
26 23 24 1 #Down
27 21 25 1 #Down
28 22 26 1 #Up
29 20 27 1 #Up
30 27 28 1
31 20 29 1 #Down
32 18 30 1 #Down
33 29 30 1
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