| Entry |
|
|---|
| Name |
Sitagliptin phosphate (JAN) |
|---|
| Formula |
C16H15F6N5O. H3PO4
|
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| Exact mass |
505.0950
|
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| Mol weight |
505.31
|
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| Structure |
|
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| Class |
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| Remark |
| Product (DG00118): | D08516<US> D06645<JP/US> |
| Product (mixture): | D10261<US> D11064<JP> D11066<US> |
|
|---|
| Efficacy |
Antidiabetic, Dipeptidyl peptidase-4 (DPP-4) inhibitor |
|---|
| Target |
|
|---|
| Pathway |
| hsa04974 | Protein digestion and absorption |
|
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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
A10BH Dipeptidyl peptidase 4 (DPP-4) inhibitors
A10BH01 Sitagliptin
D12294 Sitagliptin phosphate (JAN)
Drug groups [BR:br08330]
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01601 DPP-4 inhibitor
DG00118 Sitagliptin
D12294 Sitagliptin phosphate
Target-based classification of drugs [BR:br08310]
Peptidases and inhibitors
Serine peptidases
Prolyl oligopeptidase family
DPP4 (CD26)
D12294 Sitagliptin phosphate (JAN)
Drug groups [BR:br08330]
Antidiabetic agent
DG02044 Hypoglycemic agent
DG01601 DPP-4 inhibitor
DG00118 Sitagliptin
|
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 33
1 C8y C 10.2430 -13.8910
2 C8x C 10.2430 -15.2941
3 C8y C 11.4357 -15.9957
4 C8y C 12.6985 -15.2941
5 C8x C 12.6985 -13.8910
6 C8y C 11.4357 -13.1894
7 X F 11.4357 -11.7863
8 X F 11.4357 -17.3988
9 X F 9.0503 -13.1894
10 C1b C 13.8911 -15.9957
11 C1c C 15.1539 -15.2941
12 C1b C 16.2765 -15.9957
13 C5a C 17.4691 -15.2941
14 N1y N 18.6618 -15.9957
15 O5a O 17.4691 -13.8910
16 N1a N 15.1539 -13.8910
17 C1x C 18.6618 -17.3988
18 C1x C 19.9246 -18.1004
19 N4y N 21.1172 -17.3988
20 C8y C 21.1172 -15.9957
21 C1x C 19.9246 -15.2941
22 C8y C 22.4502 -17.8197
23 N5x N 23.2921 -16.6972
24 N5x N 22.4502 -15.5747
25 C1d C 22.4502 -19.2229
26 X F 22.4502 -20.6260
27 X F 23.8533 -19.2229
28 X F 21.0471 -19.2229
29 P1b P 26.9402 -16.2039
30 O1c O 28.2030 -16.2039
31 O1c O 25.6774 -16.2039
32 O1c O 27.0104 -17.6071
33 O1c O 26.9402 -14.5904
BOND 34
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 6 7 1
8 3 8 1
9 1 9 1
10 4 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 13 15 2
16 11 16 1 #Up
17 14 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 14 21 1
23 19 22 1
24 22 23 2
25 23 24 1
26 20 24 2
27 22 25 1
28 25 26 1
29 25 27 1
30 25 28 1
31 29 30 1
32 29 31 1
33 29 32 1
34 29 33 2
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