Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C38H51N3O12S2 |
Molecular Weight | 805.954 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCC[C@]1(CC)CS(=O)(=O)C2=CC=C(C=C2[C@H]([C@H]1O)C3=CC(NC(=O)N[C@@H]4O[C@H](COS(O)(=O)=O)[C@@H](O)[C@H](OCC5=CC=CC=C5)[C@H]4O)=CC=C3)N(C)C
InChI
InChIKey=ULVBLFBUTQMAGZ-RTNCXNSASA-N
InChI=1S/C38H51N3O12S2/c1-5-7-18-38(6-2)23-54(46,47)30-17-16-27(41(3)4)20-28(30)31(35(38)44)25-14-11-15-26(19-25)39-37(45)40-36-33(43)34(51-21-24-12-9-8-10-13-24)32(42)29(53-36)22-52-55(48,49)50/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50)/t29-,31-,32-,33-,34+,35-,36-,38-/m1/s1
Molecular Formula | C38H51N3O12S2 |
Molecular Weight | 805.954 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Volixibat (SHP626; formerly LUM002) is a potent inhibitor of the apical sodium-dependent bile acid transporter (ASBT) that was developed for the treatment of nonalcoholic steatohepatitis. Volixibat participated in phase II clinical trial to investigate its safety, effectiveness in adults with nonalcoholic steatohepatitis. However, this study was discontinued, without any further explanation for the possible causes. In addition, volixibat was studied in a clinical trial in healthy adults and in patients with type 2 diabetes mellitus, where was shown that the drug was generally well tolerated.
Approval Year
Sample Use Guides
In Vivo Use Guide
Sources: https://clinicaltrials.gov/ct2/show/NCT02787304
5 mg, 10 mg, and 20 mg of SHP626 (Volixibat) capsule by orally once daily in a double-blinded fashion
Route of Administration:
Oral
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:46:49 GMT 2023
by
admin
on
Sat Dec 16 09:46:49 GMT 2023
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Record UNII |
X2JZ0451H8
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Record Status |
Validated (UNII)
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Record Version |
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NCI_THESAURUS |
C78276
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NCI_THESAURUS |
C2081
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Volixibat
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CD-118
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10072
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DB13914
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24987688
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1025216-57-2
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300000001420
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C152907
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DTXSID00109892
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X2JZ0451H8
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admin on Sat Dec 16 09:46:50 GMT 2023 , Edited by admin on Sat Dec 16 09:46:50 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT | |||
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR | |||
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SALT/SOLVATE -> PARENT |
Related Record | Type | Details | ||
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ACTIVE MOIETY |