Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C38H50N3O12S2.C2H6O.K.H2O |
| Molecular Weight | 908.129 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.[K+].CCO.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=RZVOGBCISVYZAK-CMTWHQOSSA-M
InChI=1S/C38H51N3O12S2.C2H6O.K.H2O/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;1-2-3;;/h8-17,19-20,29,31-36,42-44H,5-7,18,21-23H2,1-4H3,(H2,39,40,45)(H,48,49,50);3H,2H2,1H3;;1H2/q;;+1;/p-1/t29-,31-,32-,33-,34+,35-,36-,38-;;;/m1.../s1
| Molecular Formula | K |
| Molecular Weight | 39.0983 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C2H6O |
| Molecular Weight | 46.0684 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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
PubMed
| Title | Date | PubMed |
|---|---|---|
| Absorption, Distribution, Metabolism, and Excretion of [(14)C]-Volixibat in Healthy Men: Phase 1 Open-Label Study. | 2018 Feb |
|
| Safety, tolerability and pharmacodynamics of apical sodium-dependent bile acid transporter inhibition with volixibat in healthy adults and patients with type 2 diabetes mellitus: a randomised placebo-controlled trial. | 2018 Jan 5 |
|
| A randomised, double-blind, placebo-controlled phase 1 study of the safety, tolerability and pharmacodynamics of volixibat in overweight and obese but otherwise healthy adults: implications for treatment of non-alcoholic steatohepatitis. | 2018 Mar 16 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:46:50 UTC 2023
by
admin
on
Sat Dec 16 09:46:50 UTC 2023
|
| Record UNII |
17D5LDM09J
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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17D5LDM09J
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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300000001422
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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1351444-01-3
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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54756402
Created by
admin on Sat Dec 16 09:46:50 UTC 2023 , Edited by admin on Sat Dec 16 09:46:50 UTC 2023
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |