| Entry |
|
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| Name |
Tenapanor (USAN/INN) |
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| Formula |
C50H66Cl4N8O10S2
|
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| Exact mass |
1142.3097
|
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| Mol weight |
1145.0486
|
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| Structure |
|
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| Class |
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG02925 CYP3A5 substrate
|
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| Remark |
| Product (DG03072): | D11653<JP/US> |
|
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| Efficacy |
Constipation-related diseases agent, Sodium/hydrogen exchanger 3 inhibitor |
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| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576], CYP3A5 [HSA: 1577]
|
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| Interaction |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A06 DRUGS FOR CONSTIPATION
A06A DRUGS FOR CONSTIPATION
A06AX Other drugs for constipation
A06AX08 Tenapanor
D11652 Tenapanor (USAN/INN)
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG03072 Tenapanor
D11652 Tenapanor
DG02925 CYP3A5 substrate
DG03072 Tenapanor
D11652 Tenapanor
Target-based classification of drugs [BR:br08310]
Transporters
Solute carrier family
SLC9
SLC9A3 (NHE3)
D11652 Tenapanor (USAN/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D11652
Drug groups [BR:br08330]
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG03072 Tenapanor
DG02925 CYP3A5 substrate
DG03072 Tenapanor
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 74
1 C8x C 3.2200 -12.1100
2 C8y C 3.2200 -13.5100
3 C8x C 4.4100 -14.2100
4 C8y C 5.6700 -13.5100
5 C8y C 5.6700 -12.1100
6 C8y C 4.4100 -11.4100
7 C1y C 6.8600 -14.2100
8 C1x C 8.0500 -13.5100
9 N1y N 8.0500 -12.1100
10 C1x C 6.8600 -11.4100
11 X Cl 4.4100 -10.0100
12 X Cl 2.0300 -14.2100
13 C1a C 9.2400 -11.4100
14 C8y C 6.8600 -15.6100
15 C8x C 5.6700 -16.3100
16 C8x C 5.6700 -17.7100
17 C8x C 6.8600 -18.4100
18 C8y C 8.0500 -17.7100
19 C8x C 8.0500 -16.3100
20 S4a S 9.2400 -18.4100
21 N1b N 10.4300 -17.7100
22 C1b C 11.6200 -18.4100
23 C1b C 12.8100 -17.7100
24 O2a O 12.8100 -16.3100
25 O3c O 8.5400 -19.6000
26 O3c O 9.9400 -19.6000
27 C1b C 14.0000 -15.6100
28 C1b C 14.0000 -14.2100
29 O2a O 15.1900 -13.5100
30 C1b C 16.3800 -14.2100
31 C1b C 16.3800 -15.6100
32 N1b N 17.5700 -16.3100
33 C5a C 17.5700 -17.7100
34 N1b N 18.7600 -18.4100
35 O5a O 16.3800 -18.4100
36 C1b C 19.9500 -17.7100
37 C1b C 21.1400 -18.4100
38 C1b C 22.5400 -18.4100
39 C8x C 40.6000 -12.0400
40 C8y C 40.6000 -13.5100
41 C8x C 39.4100 -14.2100
42 C8y C 38.0800 -13.5100
43 C8y C 38.0800 -12.0400
44 C8y C 39.4100 -11.3400
45 C1y C 36.8900 -14.2100
46 C1x C 35.7000 -13.5100
47 N1y N 35.7000 -12.0400
48 C1x C 36.8900 -11.3400
49 X Cl 39.4100 -9.9400
50 X Cl 41.7900 -14.2100
51 C1a C 34.5100 -11.3400
52 C8y C 36.8900 -15.6100
53 C8x C 38.0800 -16.3100
54 C8x C 38.0800 -17.7100
55 C8x C 36.8900 -18.4100
56 C8y C 35.7000 -17.7100
57 C8x C 35.7000 -16.3100
58 S4a S 34.5100 -18.4100
59 N1b N 33.3200 -17.7100
60 C1b C 32.1300 -18.4100
61 C1b C 30.9400 -17.7100
62 O2a O 30.9400 -16.3100
63 O3c O 35.2100 -19.6000
64 O3c O 33.8100 -19.6000
65 C1b C 29.6800 -15.6100
66 C1b C 29.6800 -14.2100
67 O2a O 28.4900 -13.5100
68 C1b C 27.3000 -14.2100
69 C1b C 27.3000 -15.6100
70 N1b N 26.1100 -16.3100
71 C5a C 26.1100 -17.7100
72 N1b N 24.9200 -18.4100
73 O5a O 27.3000 -18.4100
74 C1b C 23.7300 -17.7100
BOND 79
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 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 6 11 1
13 2 12 1
14 9 13 1
15 7 14 1 #Up
16 14 15 2
17 15 16 1
18 16 17 2
19 17 18 1
20 18 19 2
21 14 19 1
22 18 20 1
23 20 21 1
24 21 22 1
25 22 23 1
26 23 24 1
27 20 25 2
28 20 26 2
29 24 27 1
30 27 28 1
31 28 29 1
32 29 30 1
33 30 31 1
34 31 32 1
35 32 33 1
36 33 34 1
37 33 35 2
38 34 36 1
39 36 37 1
40 37 38 1
41 39 40 2
42 40 41 1
43 41 42 2
44 42 43 1
45 43 44 2
46 39 44 1
47 42 45 1
48 45 46 1
49 46 47 1
50 47 48 1
51 43 48 1
52 44 49 1
53 40 50 1
54 47 51 1
55 45 52 1 #Down
56 52 53 2
57 53 54 1
58 54 55 2
59 55 56 1
60 56 57 2
61 52 57 1
62 56 58 1
63 58 59 1
64 59 60 1
65 60 61 1
66 61 62 1
67 58 63 2
68 58 64 2
69 62 65 1
70 65 66 1
71 66 67 1
72 67 68 1
73 68 69 1
74 69 70 1
75 70 71 1
76 71 72 1
77 71 73 2
78 72 74 1
79 74 38 1
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