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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL61350
CHEMBL61350
Compound Name CYSTAMINE
ChEMBL Synonyms Cystamine | Cystamine Dihydrochloride
Max Phase 0
Trade Names
Molecular Formula C4H12N2S2

Additional synonyms for CHEMBL61350 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCSSCCN
Standard InChI InChI=1S/C4H12N2S2/c5-1-3-7-8-4-2-6/h1-6H2
Standard InChI Key APQPRKLAWCIJEK-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL61350

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
152.3 152.0442 0.29 5 52.04 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.97 .78 -1.62 0 8 0.44

Structural Alerts

There are 11 structural alerts for CHEMBL61350. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:APQPRKLAWCIJEK-UHFFFAOYSA-N
PubChem SID: 11110646 SID: 4252906 SID: 90340577
Wikipedia Cystamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL61350



ACToR 51-85-4
Brenda 1497 142467 90963
ChEBI 78757
eMolecules 1986367
EPA CompTox Dashboard DTXSID60199005
FDA SRS R110LV8L02
IBM Patent System 9D1FAB0E3FE43EFCAC364F95DE94A4CF
Mcule MCULE-9351804410
MolPort MolPort-002-507-646
Nikkaji J4.128I
PubChem 2915
PubChem: Thomson Pharma 15120196
SureChEMBL SCHEMBL43866
ZINC ZINC000001671299

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