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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1829174
CHEMBL1829174
Compound Name FASIGLIFAM
ChEMBL Synonyms TAK-875 | FASIGLIFAM
Max Phase 3
Trade Names
Molecular Formula C29H32O7S

Additional synonyms for CHEMBL1829174 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1cc(OCCCS(=O)(=O)C)cc(C)c1c2cccc(COc3ccc4[C@H](CC(=O)O)COc ...
Download SMILES
Standard InChI InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2 ...
Download InChI
Standard InChI Key BZCALJIHZVNMGJ-HSZRJFAPSA-N

Sources

  • AstraZeneca Deposited Data
  • Clinical Candidates
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1829174

Molecule Features

CHEMBL1829174 compound icon
Drug Type:Synthetic Small Molecule 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
Free fatty acid receptor 1 positive allosteric modulator Free fatty acid receptor 1 PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DIABETES MELLITUS, TYPE 2D003924EFO:0001360TYPE II DIABETES MELLITUS3ClinicalTrials
DIABETES MELLITUSD003920EFO:0000400DIABETES MELLITUS3ClinicalTrials

Clinical Data

ClinicalTrials.gov FASIGLIFAM
The Cochrane Collaboration FASIGLIFAM

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1829174. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1795180 Free fatty acid receptor 1 Rattus norvegicus 1.000
CHEMBL4422 Free fatty acid receptor 1 Homo sapiens 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.952
CHEMBL2459 Peroxisome proliferator-activated receptor gamma Mus musculus 0.826
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.463



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4422 Free fatty acid receptor 1 Homo sapiens 1.000
CHEMBL1795180 Free fatty acid receptor 1 Rattus norvegicus 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.999
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.995
CHEMBL5339 G-protein coupled receptor 120 Homo sapiens 0.958
CHEMBL2459 Peroxisome proliferator-activated receptor gamma Mus musculus 0.926
CHEMBL4566 Endothelin receptor ET-A Rattus norvegicus 0.345
CHEMBL335 Protein-tyrosine phosphatase 1B Homo sapiens 0.260

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
524.6 524.1869 5.09 11 107.51 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 2 7 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.36 - 4.4 1.44 3 37 0.35

Structural Alerts

There are 1 structural alerts for CHEMBL1829174. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BZCALJIHZVNMGJ-HSZRJFAPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1829174



BindingDB 50386790
DrugBank DB12491
FDA SRS GLP1W4JXAH
Guide to Pharmacology 6484
IBM Patent System 7697A66D92789210BD872238D50F1A40
MolPort MolPort-023-293-501
Nikkaji J2.840.587A
PDBe 2YB
PubChem 24857286
PubChem: Thomson Pharma 50088191
SureChEMBL SCHEMBL204652
ZINC ZINC000068208039

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