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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65547
CHEMBL65547
Compound Name PSILOCIN
ChEMBL Synonyms Psilocin
Max Phase 0
Trade Names
Molecular Formula C12H16N2O

Additional synonyms for CHEMBL65547 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCc1c[nH]c2cccc(O)c12
Standard InChI InChI=1S/C12H16N2O/c1-14(2)7-6-9-8-13-10-4-3-5-11(15)12(9)10 ...
Download InChI
Standard InChI Key SPCIYGNTAMCTRO-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65547

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
204.3 204.1263 2.28 3 39.26 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.01 9.38 1.46 -.32 2 15 0.81

Structural Alerts

There are no structural alerts for CHEMBL65547

Compound Cross References

ChemSpider ChemSpider:SPCIYGNTAMCTRO-UHFFFAOYSA-N
PubChem SID: 144206447
Wikipedia Psilocin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65547



BindingDB 50081701
ChEBI 8613
eMolecules 593358
EPA CompTox Dashboard DTXSID5048899
FDA SRS CMS88KUW0G
Human Metabolome Database HMDB0042000
IBM Patent System A717D7F9F521EC6C644C1708F6B3A5D6
KEGG Ligand C08312
Metabolights MTBLC8613
Nikkaji J12.982H
NMRShiftDB 20191658
PubChem 4980
PubChem: Thomson Pharma 15195604
SureChEMBL SCHEMBL194899
ZINC ZINC000000002001

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