ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1788118
CHEMBL1788118
Compound Name
ChEMBL Synonyms [3H]-8-OH-DPAT
Max Phase 0
Trade Names
Molecular Formula C16H25NO

Additional synonyms for CHEMBL1788118 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES [3H]C([3H])([3H])CCN(CCC([3H])([3H])[3H])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-VQBNBCTGSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1788118

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 3.37 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 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL1788118. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ASXGJMSKWNBENU-VQBNBCTGSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1788118



PubChem 54582513

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