ODEVIXIBAT

Search structure
Synonyms:
Status: Approved (2021)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2W150K0UUC

Structure
InChI Key XULSCZPZVQIMFM-IPZQJPLYSA-N
Smile CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)N[C@@H](CC)C(=O)O)c3ccc(O)cc3)cc2S(=O)(=O)N1
InChI
InChI=1S/C37H48N4O8S2/c1-5-8-19-37(20-9-6-2)24-41(26-13-11-10-12-14-26)29-21-31(50-4)30(22-32(29)51(47,48)40-37)49-23-33(43)39-34(25-15-17-27(42)18-16-25)35(44)38-28(7-3)36(45)46/h10-18,21-22,28,34,40,42H,5-9,19-20,23-24H2,1-4H3,(H,38,44)(H,39,43)(H,45,46)/t28-,34+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C37H48N4O8S2
Molecular Weight 740.95
AlogP 5.88
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 17.0
Polar Surface Area 174.37
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 51.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Ileal bile acid transporter inhibitor PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pruritus 4 D011537 FDA
Cholestasis, Intrahepatic 4 D002780 FDA
Biliary Atresia 3 D001656 ClinicalTrials
Alagille Syndrome 3 D016738 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials
Cholestasis 2 D002779 ClinicalTrials
Liver Cirrhosis, Biliary 2 D008105 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297588
DrugBank DB16261
FDA SRS 2W150K0UUC
Guide to Pharmacology 11194
PubChem 10153627
SureChEMBL SCHEMBL946468
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