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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL56
CHEMBL56
Compound Name 8-OH-DPAT
ChEMBL Synonyms [3H]-8-OH-DPAT
Max Phase 0
Trade Names
Molecular Formula C16H25NO

Additional synonyms for CHEMBL56 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Standard InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15 ...
Download InChI
Standard InChI Key ASXGJMSKWNBENU-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL56

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
247.4 247.1936 4.29 5 23.47 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.54 9.33 3.71 1.94 1 18 0.84

Structural Alerts

There are 1 structural alerts for CHEMBL56. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ASXGJMSKWNBENU-UHFFFAOYSA-N
PubChem SID: 124880272 SID: 26751756 SID: 50104716 SID: 90341547
Wikipedia 8-OH-DPAT

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL56



ACToR 78950-78-4
BindingDB 21393
ChEBI 73364
eMolecules 1933746
Guide to Pharmacology 7 31
IBM Patent System 2F44F2404E9BCF31CF7D1C1648D025AF
LINCS LSM-21609
Nikkaji J247.110H J353.760I
PubChem 1220
PubChem: Thomson Pharma 14798544
SureChEMBL SCHEMBL496783

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