| Entry |
| ||||||
|---|---|---|---|---|---|---|---|
| Name | Tenapanor hydrochloride (JAN/USAN); Ibsrela (TN) | ||||||
| Product | IBSRELA (Ardelyx) | ||||||
| Formula | C50H66Cl4N8O10S2. 2HCl | ||||||
| Exact mass | 1214.2631 | ||||||
| Mol weight | 1217.9705 | ||||||
| Structure |  | ||||||
| Class | Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG02925 CYP3A5 substrate | ||||||
| Remark |
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| Efficacy | Constipation-related diseases agent, Sodium/hydrogen exchanger 3 inhibitor | ||||||
| Disease | Irritable bowel syndrome with constipation [DS:H01615] | ||||||
| Comment | Treatment of constipation-related diseases, diseases of sodium and fluid overload | ||||||
| Target | SLC9A3 (NHE3) [HSA:6550] [KO:K12040] | ||||||
| Pathway |
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| Metabolism | Enzyme: CYP3A4 [HSA:1576], CYP3A5 [HSA:1577] | ||||||
| Interaction | |||||||
| 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 D11653 Tenapanor hydrochloride (JAN/USAN) <US> USP drug classification [BR:br08302] Gastrointestinal Agents Anti-Constipation Agents Tenapanor D11653 Tenapanor hydrochloride (JAN/USAN) Drug groups [BR:br08330] Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG03072 Tenapanor D11653 Tenapanor hydrochloride DG02925 CYP3A5 substrate DG03072 Tenapanor D11653 Tenapanor hydrochloride Target-based classification of drugs [BR:br08310] Transporters Solute carrier family SLC9 SLC9A3 (NHE3) D11653 Tenapanor hydrochloride (JAN/USAN) <US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D11653 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D11653 Drug metabolizing enzymes and transporters [br08309.html] Drug metabolizing enzymes D11653 Drug groups [BR:br08330] Metabolizing enzyme substrate DG01633 CYP3A/CYP3A4 substrate DG02913 CYP3A4 substrate DG03072 Tenapanor DG02925 CYP3A5 substrate DG03072 Tenapanor | ||||||
| Other DBs |
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| KCF data | ATOM 76 1 C8x C 2.9563 -13.5385 2 C8y C 2.9563 -14.9414 3 C8x C 4.1488 -15.6429 4 C8y C 5.4114 -14.9414 5 C8y C 5.4114 -13.5385 6 C8y C 4.1488 -12.8371 7 C1y C 6.6039 -15.6429 8 C1x C 7.7963 -14.9414 9 N1y N 7.7963 -13.5385 10 C1x C 6.6039 -12.8371 11 X Cl 4.1488 -11.4342 12 X Cl 1.7638 -15.6429 13 C1a C 9.0590 -12.8371 14 C8y C 6.6039 -17.0458 15 C8x C 5.4114 -17.7472 16 C8x C 5.4114 -19.1502 17 C8x C 6.6039 -19.8516 18 C8y C 7.7963 -19.1502 19 C8x C 7.7963 -17.7472 20 S4a S 9.0590 -19.8516 21 N1b N 10.2514 -19.1502 22 C1b C 11.4439 -19.8516 23 C1b C 12.6364 -19.1502 24 O2a O 12.6364 -17.7472 25 O3c O 8.2874 -21.0441 26 O3c O 9.7604 -21.0441 27 C1b C 13.8288 -17.0458 28 C1b C 13.8288 -15.6429 29 O2a O 15.0213 -14.9414 30 C1b C 16.2138 -15.6429 31 C1b C 16.2138 -17.0458 32 N1b N 17.4063 -17.7472 33 C5a C 17.4063 -19.1502 34 N1b N 18.5987 -19.8516 35 O5a O 16.2138 -19.8516 36 C1b C 19.7912 -19.1502 37 C1b C 20.9837 -19.8516 38 C1b C 22.3866 -19.8516 39 C8x C 40.5543 -13.4684 40 C8y C 40.5543 -14.9414 41 C8x C 39.3618 -15.6429 42 C8y C 38.0290 -14.9414 43 C8y C 38.0290 -13.4684 44 C8y C 39.3618 -12.7669 45 C1y C 36.8366 -15.6429 46 C1x C 35.6441 -14.9414 47 N1y N 35.6441 -13.4684 48 C1x C 36.8366 -12.7669 49 X Cl 39.3618 -11.3640 50 X Cl 41.7468 -15.6429 51 C1a C 34.4516 -12.7669 52 C8y C 36.8366 -17.0458 53 C8x C 38.0290 -17.7472 54 C8x C 38.0290 -19.1502 55 C8x C 36.8366 -19.8516 56 C8y C 35.6441 -19.1502 57 C8x C 35.6441 -17.7472 58 S4a S 34.4516 -19.8516 59 N1b N 33.2592 -19.1502 60 C1b C 32.0667 -19.8516 61 C1b C 30.8742 -19.1502 62 O2a O 30.8742 -17.7472 63 O3c O 35.1531 -21.0441 64 O3c O 33.7502 -21.0441 65 C1b C 29.6116 -17.0458 66 C1b C 29.6116 -15.6429 67 O2a O 28.4191 -14.9414 68 C1b C 27.2266 -15.6429 69 C1b C 27.2266 -17.0458 70 N1b N 26.0342 -17.7472 71 C5a C 26.0342 -19.1502 72 N1b N 24.7715 -19.8516 73 O5a O 27.2266 -19.8516 74 C1b C 23.5791 -19.1502 75 X Cl 21.9100 -12.2500 76 X Cl 21.9100 -14.1400 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 |