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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6467
CHEMBL6467
Compound Name 4-METHYLTHIOAMPHETAMINE
ChEMBL Synonyms 4-Methylthioamphetamine
Max Phase 0
Trade Names
Molecular Formula C10H15NS

Additional synonyms for CHEMBL6467 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CSc1ccc(CC(C)N)cc1
Standard InChI InChI=1S/C10H15NS/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-6,8H,7,11 ...
Download InChI
Standard InChI Key OLEWMKVPSUCNLG-UHFFFAOYSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL6467

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
181.3 181.0925 2.3 3 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.96 2.26 -.19 1 12 0.72

Structural Alerts

There are no structural alerts for CHEMBL6467

Compound Cross References

ChemSpider ChemSpider:OLEWMKVPSUCNLG-UHFFFAOYSA-N
Wikipedia 4-Methylthioamphetamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6467



ACToR 14116-06-4
BindingDB 50063544
Brenda 39742
eMolecules 31231063
EPA CompTox Dashboard DTXSID90894854
IBM Patent System C94879B209FF918A8F1941F27190679D
Nikkaji J1.114.643K
PubChem 151900
PubChem: Thomson Pharma 15339958
SureChEMBL SCHEMBL713587

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