| Entry |
|
|---|
| Name |
Alogliptin benzoate (JAN/USAN)
|
|---|
| Product |
|
|---|
| Formula |
C18H21N5O2. C7H6O2
|
|---|
| Exact mass |
461.2063
|
|---|
| Mol weight |
461.513
|
|---|
| Structure |
     |
|---|
| Activity |
Treatment of type 2 diabetes [DS: H00409]
|
|---|
| Remark |
Therapeutic category: ATC code: |
|---|
| Target |
dipeptidyl-peptidase 4 (DPP4) inhibitor [HSA: 1803] [KO: K01278] |
|---|
| Pathway |
hsa04974 Protein digestion and absorption | |
|
|---|
| Interaction |
|
|---|
| Structure map |
|
|---|
| Brite |
Therapeutic category of drugs in Japan [BR:br08301]
3 Agents affecting metabolism
39 Other agents affecting metabolism
396 Antidiabetic agents
3969 Others
D06553 Alogliptin benzoate (JAN/USAN)
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
A10BH04 Alogliptin
D06553 Alogliptin benzoate (JAN/USAN)
Target-based classification of drugs [BR:br08310]
Enzymes
Hydrolases
dipeptidyl-peptidase 4 (DPP4) [HSA:1803] [KO:K01278]
Alogliptin [ATC:A10BH04]
D06553 Alogliptin benzoate (JAN/USAN)
 |
|---|
| Other DBs |
CAS: 850649-62-6 PubChem: LigandBox: |
|---|
| KCF data |
ATOM 34
1 C8x C 11.4100 -16.3100
2 C8x C 11.4100 -17.7100
3 C8x C 12.6224 -18.4100
4 C8x C 13.8349 -17.7100
5 C8y C 13.8349 -16.3100
6 C8y C 12.6224 -15.6100
7 C8y C 16.2597 -17.7100
8 N4y N 16.2597 -16.3100
9 C1b C 15.0473 -15.6100
10 N4y N 17.4722 -18.4100
11 C8y C 18.6846 -17.7100
12 C8x C 18.6846 -16.3100
13 C8y C 17.4722 -15.6100
14 C3b C 12.6224 -14.2102
15 N3a N 12.6224 -12.8102
16 O5x O 15.0326 -18.4186
17 C1a C 17.4722 -19.8097
18 O5x O 19.9011 -18.4123
19 N1y N 17.4722 -14.2103
20 C1x C 18.7054 -13.4980
21 C1x C 18.7052 -12.0980
22 C1x C 17.4926 -11.3982
23 C1y C 16.2594 -12.1105
24 C1x C 16.2596 -13.5105
25 N1a N 15.0322 -11.4021
26 C8y C 23.9402 -15.6465
27 C8x C 22.7305 -16.3378
28 C8x C 25.1564 -16.3378
29 C6a C 23.9339 -14.2511
30 C8x C 22.7305 -17.7461
31 C8x C 25.1564 -17.7461
32 O6a O 25.1371 -13.5534
33 O6a O 22.7240 -13.5599
34 C8x C 23.9402 -18.4565
BOND 36
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 7 8 1
8 8 9 1
9 5 9 1
10 7 10 1
11 10 11 1
12 11 12 1
13 12 13 2
14 8 13 1
15 6 14 1
16 14 15 3
17 7 16 2
18 10 17 1
19 11 18 2
20 13 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 22 23 1
25 23 24 1
26 19 24 1
27 23 25 1 #Down
28 26 27 2
29 26 28 1
30 26 29 1
31 27 30 1
32 28 31 2
33 29 32 1
34 29 33 2
35 30 34 2
36 31 34 1
|
|---|
