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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL411070
CHEMBL411070
Compound Name GLYCOCHOLIC ACID
ChEMBL Synonyms Glycocholate
Max Phase 0
Trade Names
Molecular Formula C26H43NO6

Additional synonyms for CHEMBL411070 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4 ...
Download SMILES
Standard InChI InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18- ...
Download InChI
Standard InChI Key RFDAIACWWDREDC-FRVQLJSFSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL411070

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
465.6 465.309 2.56 6 127.09 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 5 0 7 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.58 - 1.21 -2.39 0 33 0.41

Structural Alerts

There are 1 structural alerts for CHEMBL411070. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RFDAIACWWDREDC-FRVQLJSFSA-N
PubChem SID: 144212866 SID: 56463222
Wikipedia Glycocholic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL411070



ACToR 475-31-0
BindingDB 50375589
Brenda 4250 154375 106214 3819 153391 49093 10519
ChEBI 17687
eMolecules 1939102
EPA CompTox Dashboard DTXSID2047436
FDA SRS G59NX3I3RT
Guide to Pharmacology 4544
IBM Patent System 39864A9D367CBEFF5015DCAED18BEAD2
KEGG Ligand C01921
LINCS LSM-3222
LipidMaps LMST05030001
Mcule MCULE-2417731672
Metabolights MTBLC17687
MolPort MolPort-002-512-287
Nikkaji J12.411G
PDBe GCH
PubChem 10140
PubChem: Thomson Pharma 56416996
Recon gchola
SureChEMBL SCHEMBL29022
ZINC ZINC000008143774

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