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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL266591
CHEMBL266591
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C11H14N2O

Additional synonyms for CHEMBL266591 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1[nH]c2ccc(O)cc2c1CCN
Standard InChI InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2 ...
Download InChI
Standard InChI Key WYWNEDARFVJQSG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL266591

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
190.3 190.1106 1.68 2 62.04 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 3 0 3 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.17 9.53 .51 -1.68 2 14 0.67

Structural Alerts

There are no structural alerts for CHEMBL266591

Compound Cross References

ChemSpider ChemSpider:WYWNEDARFVJQSG-UHFFFAOYSA-N
PubChem SID: 11111405 SID: 11113566 SID: 26751773 SID: 50104460 SID: 90341641
Wikipedia 2-Methyl-5-hydroxytryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL266591



ACToR 78263-90-8
BindingDB 50014406
ChEBI 31085
eMolecules 1933748
EPA CompTox Dashboard DTXSID80228927
Guide to Pharmacology 218
IBM Patent System 4FF0182B47C98EED8F6FB57AA00B3898
KEGG Ligand C13665
Mcule MCULE-5329313088
MolPort MolPort-020-248-203
Nikkaji J258.445J
PubChem 1574
PubChem: Thomson Pharma 15195322
SureChEMBL SCHEMBL399028
ZINC ZINC000002572146

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