ODEVIXIBAT

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Synonyms
Status
Molecule Category Free-form
UNII 2W150K0UUC

Structure

InChI Key XULSCZPZVQIMFM-IPZQJPLYSA-N
Smiles 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

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

Target Conservation

Protein: Ileal bile acid transporter
Description: Ileal sodium/bile acid cotransporter
Organism : Homo sapiens
Q12908 ENSG00000125255

Related Entries

Cross References

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