maralixibat (LIVMARLI) Report issue

Small molecule Orphan Drug FDA Approved FDA Breakthrough Therapy FDA Priority Review FDA
AACT

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Chemistry

Mol. Mass

674.97

ALogP

6.62

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)[C@H]1O
  • InChIKey: STPKWKPURVSAJF-LJEWAXOPSA-N
    InChI=1S/C40H56N3O4S/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3/q+1/t38-,39-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL363392   ChEMBL
maralixibat *

CHEMBL17879   ChEMBL
maralixibat chloride

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