| Entry |
| ||||||
|---|---|---|---|---|---|---|---|
| Name | Maralixibat chloride (USAN/INN); Livmarli (TN) | ||||||
| Product | LIVMARLI (Mirum Pharmaceuticals) | ||||||
| Formula | C40H56N3O4S. Cl | ||||||
| Exact mass | 709.368 | ||||||
| Mol weight | 710.4083 | ||||||
| Structure |  | ||||||
| Simcomp | |||||||
| Remark |
| ||||||
| Efficacy | Hepatoprotectants, Bile acid transporter (ASBT/IBAT) inhibitor | ||||||
| Disease | Alagille syndrome [DS:H00551] | ||||||
| Comment | Treatment of cholestatic liver disease | ||||||
| Target | SLC10A2 (ASBT, IBAT) [HSA:6555] [KO:K14342] | ||||||
| Pathway |
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| Brite | Anatomical Therapeutic Chemical (ATC) classification [BR:br08303] A ALIMENTARY TRACT AND METABOLISM A05 BILE AND LIVER THERAPY A05A BILE THERAPY A05AX Other drugs for bile therapy A05AX04 Maralixibat chloride D10952 Maralixibat chloride (USAN/INN) <US> Target-based classification of drugs [BR:br08310] Transporters Solute carrier family SLC10 SLC10A2 (ASBT, IBAT) D10952 Maralixibat chloride (USAN/INN) <US> New drug approvals in the USA [br08319.html] New molecular entities and new therapeutic biological products D10952 New drug approvals in the USA, Europe and Japan [br08328.html] Approval dates by FDA, EMA and PMDA D10952 | ||||||
| Other DBs |
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| KCF data | ATOM 49 1 C8y C 18.2358 -12.9176 2 S2x S 17.1182 -12.0095 3 C1x C 15.7910 -12.3588 4 C1z C 15.1624 -13.6161 5 C8y C 18.2358 -14.3146 6 C1y C 15.7910 -14.8734 7 C1y C 17.1182 -15.1528 8 C8x C 19.4232 -15.0131 9 C8y C 20.6805 -14.3146 10 C8x C 20.6805 -12.9176 11 C8x C 19.4232 -12.2191 12 O3c O 18.0961 -10.9618 13 O3c O 16.1403 -10.9618 14 C1b C 14.1146 -12.5683 15 C1b C 14.1146 -14.5940 16 C1b C 12.7875 -12.9874 17 C1b C 11.8096 -12.0095 18 C1a C 10.4824 -12.3588 19 C1b C 12.7875 -14.2447 20 C1b C 11.8096 -15.2226 21 C1a C 10.4824 -14.8734 22 N1c N 21.8680 -15.0131 23 C1a C 23.0554 -14.3146 24 C1a C 21.8680 -16.4101 25 O1a O 14.8830 -15.9910 26 C8y C 17.1182 -16.5498 27 C8x C 15.9084 -17.2483 28 C8x C 15.9084 -18.6453 29 C8y C 17.1182 -19.3438 30 C8x C 18.3280 -18.6453 31 C8x C 18.3280 -17.2483 32 O2a O 17.1182 -20.7408 33 C1b C 18.3280 -21.4393 34 C8y C 19.5209 -20.7504 35 C8x C 20.7058 -21.4344 36 C8x C 21.9156 -20.7358 37 C8y C 21.9155 -19.3388 38 C8x C 20.7307 -18.6549 39 C8x C 19.5209 -19.3534 40 C1b C 23.1397 -18.6317 41 N2y N 24.3446 -19.3272 #+ 42 C1x C 24.3451 -20.7404 43 C1x C 25.5552 -21.4385 44 N1y N 26.7648 -20.7395 45 C1x C 26.7643 -19.3263 46 C1x C 25.5542 -18.6282 47 C1x C 25.7416 -19.3272 48 C1x C 25.3678 -20.7395 49 X Cl 28.7000 -17.0100 #- BOND 53 1 3 4 1 2 1 5 1 3 4 6 1 4 2 3 1 5 5 7 1 6 1 2 1 7 6 7 1 8 5 8 2 9 8 9 1 10 9 10 2 11 10 11 1 12 1 11 2 13 2 12 2 14 2 13 2 15 4 14 1 16 4 15 1 17 14 16 1 18 16 17 1 19 17 18 1 20 15 19 1 21 19 20 1 22 20 21 1 23 9 22 1 24 22 23 1 25 22 24 1 26 6 25 1 #Up 27 7 26 1 #Up 28 26 27 2 29 27 28 1 30 28 29 2 31 29 30 1 32 30 31 2 33 26 31 1 34 29 32 1 35 32 33 1 36 33 34 1 37 34 35 2 38 35 36 1 39 36 37 2 40 37 38 1 41 38 39 2 42 34 39 1 43 37 40 1 44 40 41 1 45 41 42 1 46 42 43 1 47 43 44 1 48 44 45 1 49 45 46 1 50 41 46 1 51 41 47 1 52 44 48 1 53 47 48 1 |