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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL46257
CHEMBL46257
Compound Name PUTRESCINE
ChEMBL Synonyms Putrescine Dihydrochloride | Putrescine
Max Phase 0
Trade Names
Molecular Formula C4H12N2

Additional synonyms for CHEMBL46257 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCCN
Standard InChI InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
Standard InChI Key KIDHWZJUCRJVML-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL46257

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
88.2 88.1 -0.84 3 52.04 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.68 -.47 -4.49 0 6 0.44

Structural Alerts

There are 2 structural alerts for CHEMBL46257. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KIDHWZJUCRJVML-UHFFFAOYSA-N
PubChem SID: 11111663 SID: 90341517
Wikipedia Putrescine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL46257



ACToR 110-60-1
BindingDB 50009385
Brenda 49379 155 16078 21689 1296 109948
ChEBI 17148
DrugBank DB01917
eMolecules 497884
EPA CompTox Dashboard DTXSID4041107
FDA SRS V10TVZ52E4
Guide to Pharmacology 2388
Human Metabolome Database HMDB0001414
KEGG Ligand C02896 C00134
Mcule MCULE-3098044935
Metabolights MTBLC17148
MolPort MolPort-001-781-809
Nikkaji J1.979H
NMRShiftDB 10006310
PDBe PUT
PubChem 1045
PubChem: Thomson Pharma 15194199
SureChEMBL SCHEMBL21642
ZINC ZINC000005828633

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