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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL416526
CHEMBL416526
Compound Name BUFOTENINE
ChEMBL Synonyms Bufotenine
Max Phase 0
Trade Names
Molecular Formula C12H16N2O

Additional synonyms for CHEMBL416526 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCc1c[nH]c2ccc(O)cc12
Standard InChI InChI=1S/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12 ...
Download InChI
Standard InChI Key VTTONGPRPXSUTJ-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL416526

Alternate Forms of Compound in ChEMBL


CHEMBL416526

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
10.11 9.42 1.58 -.22 2 15 0.81

Compound Cross References

ChemSpider ChemSpider:VTTONGPRPXSUTJ-UHFFFAOYSA-N
PubChem SID: 124954092 SID: 144206443
Wikipedia Bufotenin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL416526



ACToR 487-93-4
BindingDB 50024206
ChEBI 3210
DrugBank DB01445
eMolecules 976876
FDA SRS 0A31347TZK
Guide to Pharmacology 144
Human Metabolome Database HMDB41842
IBM Patent System 448C78F26F170A692A4A71295A1330A2
KEGG Ligand C08299
Nikkaji J6.027E
NMRShiftDB 20026032
PubChem 10257
PubChem: Drugs of the Future 12015261
PubChem: Thomson Pharma 14822340
SureChEMBL SCHEMBL518028

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