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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL65061
CHEMBL65061
Compound Name LEUKOTRIENE_B4
ChEMBL Synonyms Leukotriene B4
Max Phase 0
Trade Names
Molecular Formula C20H32O4

Additional synonyms for CHEMBL65061 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\C=C/C[C@@H](O)\C=C\C=C\C=C/[C@@H](O)CCCC(=O)O
Standard InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19 ...
Download InChI
Standard InChI Key VNYSSYRCGWBHLG-AMOLWHMGSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL65061

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
336.5 336.2301 4.24 14 77.76 ACID


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.66 - 3.38 .68 0 24 0.25

Structural Alerts

There are 7 structural alerts for CHEMBL65061. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VNYSSYRCGWBHLG-AMOLWHMGSA-N
PubChem SID: 26754792
Wikipedia Leukotriene_B4

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL65061



BindingDB 50013889
Brenda 154388 153404
ChEBI 15647
DrugBank DB12961
eMolecules 539941
FDA SRS 1HGW4DR56D
Guide to Pharmacology 2487
Human Metabolome Database HMDB0001085
KEGG Ligand C02165
LipidMaps LMFA03020001
Metabolights MTBLC15647
Nikkaji J240.041C
PDBe LTB
PubChem 5280492
PubChem: Thomson Pharma 14753488 15316444
SureChEMBL SCHEMBL2510602
ZINC ZINC000004623738

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