ELOBIXIBAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 865UEK4EJC

Structure
InChI Key XFLQIRAKKLNXRQ-UUWRZZSWSA-N
Smile CCCCC1(CCCC)CN(c2ccccc2)c2cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O)O)c3ccccc3)cc2S(=O)(=O)C1
InChI
InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9-13-17-27)28-20-30(47-3)29(21-31(28)48(44,45)25-36)46-23-32(40)38-34(26-14-10-8-11-15-26)35(43)37-22-33(41)42/h8-17,20-21,34H,4-7,18-19,22-25H2,1-3H3,(H,37,43)(H,38,40)(H,41,42)/t34-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H45N3O7S2
Molecular Weight 695.9
AlogP 6.14
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 16.0
Polar Surface Area 142.11
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 48.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Constipation 3 D003248 ClinicalTrials
Lipid Metabolism Disorders 2 D052439 ClinicalTrials
Non-alcoholic Fatty Liver Disease 2 D065626 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 439087-18-0
ChEMBL CHEMBL3039515
DrugBank DB12486
DrugCentral 5277
EPA CompTox DTXSID00195985
FDA SRS 865UEK4EJC
Guide to Pharmacology 9996
PubChem 9939892
SureChEMBL SCHEMBL1183501
CONTENTS