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Structure via PubChem · Public domain (PubChem)
elobixibat
Sign in to saveAlso known as AZD7806
Elobixibat is an inhibitor of the ileal bile acid transporter (IBAT), undergoing development in clinical trials for the treatment of chronic constipation and irritable bowel syndrome with constipation (IBS-C).
Chemical data
- Formula
- C36H45N3O7S2
- Molecular weight
- 695.9 g/mol
- IUPAC name
- 2-[[(2R)-2-[[2-[(3,3-dibutyl-7-methylsulfanyl-1,1-dioxo-5-phenyl-2,4-dihydro-1lambda6,5-benzothiazepin-8-yl)oxy]acetyl]amino]-2-phenylacetyl]amino]acetic acid
- SMILES
- CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)N[C@H](C3=CC=CC=C3)C(=O)NCC(=O)O)SC)C4=CC=CC=C4)CCCC
- InChIKey
- XFLQIRAKKLNXRQ-UUWRZZSWSA-N
- XLogP
- 7.1
- Polar surface area
- 176 Ų
- H-bond donors
- 3
- H-bond acceptors
- 9
- Formal charge
- 0
via PubChem
Drug data · ChEMBL
- Max clinical phase
- Phase 3
- Molecule type
- Small molecule
- Indications
- Constipation, Disorder of lipid metabolism, non-alcoholic steatohepatitis
via ChEMBL · EBI
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 695.27
Show 3 more facts
- chemical formula
- C₃₆H₄₅N₃O₇S₂
- canonical SMILES
- CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)NC(C3=CC=CC=C3)C(=O)NCC(=O)O)SC)C4=CC=CC=C4)CCCC
- isomeric SMILES
- CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)C1)OCC(=O)N[C@H](C3=CC=CC=C3)C(=O)NCC(=O)O)SC)C4=CC=CC=C4)CCCC
Sources (2)
via Wikidata · CC0
~2 min read
Encyclopedic overview
3 sectionsContents
- Mechanism of action
- Drug development
- References
{{Drugbox | drug_name = | image = Elobixibat skeletal.svg | image_class = skin-invert-image | alt = | caption =
| tradename = | Drugs.com = | MedlinePlus = | pregnancy_AU = | pregnancy_category= | routes_of_administration = By mouth | ATCvet = | ATC_prefix = A06 | ATC_suffix = AX09 | ATC_supplemental =
Excerpted from Wikipedia’s “elobixibat” article, available under the CC BY-SA 4.0 licence.