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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL3039515
CHEMBL3039515
Compound Name ELOBIXIBAT
ChEMBL Synonyms ELOBIXIBAT | AZD7806 | A3309
Max Phase 3
Trade Names
Molecular Formula C36H45N3O7S2

Additional synonyms for CHEMBL3039515 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC1(CCCC)CN(c2ccccc2)c3cc(SC)c(OCC(=O)N[C@@H](C(=O)NCC(=O ...
Download SMILES
Standard InChI InChI=1S/C36H45N3O7S2/c1-4-6-18-36(19-7-5-2)24-39(27-16-12-9 ...
Download InChI
Standard InChI Key XFLQIRAKKLNXRQ-UUWRZZSWSA-N

Sources

  • Clinical Candidates
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL3039515

Molecule Features

CHEMBL3039515 compound icon
Drug Type:Natural Product-derived Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

Mechanism of Action ChEMBL Target References
Ileal bile acid transporter inhibitor Ileal bile acid transporter PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Lipid Metabolism DisordersD052439Orphanet:309005Disorder of lipid metabolism2ClinicalTrials
ConstipationD003248HP:0002019constipation3ClinicalTrials

Clinical Data

ClinicalTrials.gov ELOBIXIBAT
The Cochrane Collaboration ELOBIXIBAT

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
695.9 695.2699 6.14 16 142.11 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 3 2 10 3 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.2 - 7.8 4.13 3 48 0.15

Structural Alerts

There are 2 structural alerts for CHEMBL3039515. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XFLQIRAKKLNXRQ-UUWRZZSWSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL3039515



BindingDB 77088
DrugBank DB12486
DrugCentral 5277
EPA CompTox Dashboard DTXSID00195985
FDA SRS 865UEK4EJC
Guide to Pharmacology 9996
IBM Patent System 78F656F1FB2A7D163F4CF19C0C7C7CE5
Nikkaji J3.548.450G
PubChem 9939892
PubChem: Thomson Pharma 15111368
SureChEMBL SCHEMBL1183501

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/XFLQIRAKKLNXRQ-UUWRZZSWSA-N spacer
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