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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL23194
CHEMBL23194
Compound Name SPERMINE
ChEMBL Synonyms Spermine
Max Phase 0
Trade Names
Molecular Formula C10H26N4

Additional synonyms for CHEMBL23194 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCNCCCCNCCCN
Standard InChI InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H, ...
Download InChI
Standard InChI Key PFNFFQXMRSDOHW-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL23194

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
202.4 202.2157 -0.36 11 76.1 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 4 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.88 -.54 -6.29 0 14 0.35

Structural Alerts

There are 4 structural alerts for CHEMBL23194. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:PFNFFQXMRSDOHW-UHFFFAOYSA-N
PubChem SID: 11111791 SID: 11113818 SID: 124881425 SID: 124881427 SID: 26751991 SID: 90341642
Wikipedia Spermine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL23194



ACToR 115-04-8 71-44-3
BindingDB 79403
Brenda 197 161306 107269 107270
ChEBI 15746
DrugBank DB00127
eMolecules 531533
EPA CompTox Dashboard DTXSID9058781
FDA SRS 2FZ7Y3VOQX
Guide to Pharmacology 710
Human Metabolome Database HMDB0001256
IBM Patent System B432D74F1D373762C4A285045361B8F1
KEGG Ligand C00750
Mcule MCULE-4079516211
Metabolights MTBLC15746
MolPort MolPort-003-850-274
Nikkaji J5.246I
PDBe SPM
PharmGKB PA164781199
PubChem 1103
PubChem: Thomson Pharma 14748726
SureChEMBL SCHEMBL14965
ZINC ZINC000001532734

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