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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1615232
CHEMBL1615232
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H12O6

Additional synonyms for CHEMBL1615232 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H](O)[C@@H](O)[C@H](O)C(=O)CO
Standard InChI InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1 ...
Download InChI
Standard InChI Key BJHIKXHVCXFQLS-OTWZMJIISA-N

Sources

  • PubChem BioAssays

Alternate Forms of Compound in ChEMBL


CHEMBL1615232

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
180.2 180.0634 -3.38 5 118.22 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 5 0 6 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.87 - -1.03 -1.03 0 12 0.3

Structural Alerts

There are 3 structural alerts for CHEMBL1615232. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:BJHIKXHVCXFQLS-OTWZMJIISA-N
PubChem SID: 170465548

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1615232



ACToR 3615-39-2 10597-69-0
Brenda 685 210754
ChEBI 13172
eMolecules 531514
EPA CompTox Dashboard DTXSID1048704
FDA SRS NV2001607Y
Metabolights MTBLC13172
MolPort MolPort-003-939-303
Nikkaji J4.280C
PDBe SOL
PubChem 6904
PubChem: Thomson Pharma 15265571
Rhea 13172
SureChEMBL SCHEMBL32845
ZINC ZINC000090225648

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