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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL293762
CHEMBL293762
Compound Name AMTHAMINE
ChEMBL Synonyms Amthamine
Max Phase 0
Trade Names
Molecular Formula C6H11N3S

Additional synonyms for CHEMBL293762 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1nc(N)sc1CCN
Standard InChI InChI=1S/C6H11N3S/c1-4-5(2-3-7)10-6(8)9-4/h2-3,7H2,1H3,(H2,8 ...
Download InChI
Standard InChI Key LHVRFUVVRXGZPV-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL293762

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
157.2 157.0674 0.53 2 64.93 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.18 .94 -.82 1 10 0.66

Structural Alerts

There are 2 structural alerts for CHEMBL293762. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LHVRFUVVRXGZPV-UHFFFAOYSA-N
PubChem SID: 11113633 SID: 26751833
Wikipedia Amthamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL293762



ACToR 142437-67-0
BindingDB 22881
ChEBI 92694
eMolecules 1934042
EPA CompTox Dashboard DTXSID80162039
Guide to Pharmacology 4025
IBM Patent System 783EE903B2AA37C8F20B6756401C3DBD
LINCS LSM-2874
Nikkaji J491.999H
PubChem 126688
PubChem: Thomson Pharma 14772393
SureChEMBL SCHEMBL400272
ZINC ZINC000000005099

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