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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1236395
CHEMBL1236395
Compound Name TREHALOSE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C12H22O11

Additional synonyms for CHEMBL1236395 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@ ...
Download SMILES
Standard InChI InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(2 ...
Download InChI
Standard InChI Key HDTRYLNUVZCQOY-LIZSDCNHSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1236395

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
342.3 342.1162 -4.26 4 189.52 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
11 8 2 11 8 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.53 - -3.93 -3.93 0 23 0.25

Structural Alerts

There are 2 structural alerts for CHEMBL1236395. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HDTRYLNUVZCQOY-LIZSDCNHSA-N
Wikipedia Trehalose

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1236395



ACToR 229966-89-6
Brenda 9094 47613 25546 589 210722 11600 587
ChEBI 16551
DrugBank DB12310
eMolecules 29522931 715306
EPA CompTox Dashboard DTXSID3048102
FDA SRS B8WCK70T7I
Human Metabolome Database HMDB0000975
IBM Patent System 1B0B7C895BA3CDA0802F8EE090056C9F
KEGG Ligand C01083
LINCS LSM-37121
Metabolights MTBLC16551
MolPort MolPort-003-910-352
Nikkaji J4.965D
PDBe TRE
PubChem 7427
PubChem: Thomson Pharma 14827262
Recon tre
Rhea 16551
SureChEMBL SCHEMBL8739
ZINC ZINC000004095531

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