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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL19612
CHEMBL19612
Compound Name SPERMIDINE
ChEMBL Synonyms Spermidine
Max Phase 0
Trade Names
Molecular Formula C7H19N3

Additional synonyms for CHEMBL19612 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCCNCCCN
Standard InChI InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
Standard InChI Key ATHGHQPFGPMSJY-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL19612

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
145.3 145.1579 -1.17 7 64.06 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 5 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.53 -.5 -5.36 0 10 0.4

Structural Alerts

There are 3 structural alerts for CHEMBL19612. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ATHGHQPFGPMSJY-UHFFFAOYSA-N
PubChem SID: 11111787 SID: 11113819 SID: 124881418 SID: 90340561
Wikipedia Spermidine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL19612



ACToR 124-20-9
BindingDB 50009353
Brenda 55168 11155 148 13223 161307
ChEBI 16610
DrugBank DB03566
eMolecules 476108
EPA CompTox Dashboard DTXSID4036645
FDA SRS U87FK77H25
Guide to Pharmacology 2390
Human Metabolome Database HMDB0001257
IBM Patent System 89DFF548C94AC39C8E4222DC1938E6CF
KEGG Ligand C00315
LINCS LSM-37075
Mcule MCULE-8096530192
Metabolights MTBLC16610
MolPort MolPort-001-761-230
Nikkaji J10.054D
PDBe SPD
PubChem 1102
PubChem: Thomson Pharma 15146776
SureChEMBL SCHEMBL15618
ZINC ZINC000001532612

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