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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL288943
CHEMBL288943
Compound Name LEUKOTRIENE D4
ChEMBL Synonyms Leukotriene D4
Max Phase 0
Trade Names
Molecular Formula C25H40N2O6S

Additional synonyms for CHEMBL288943 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@H](N)C(=O)NCC(=O)O)[C@@H ...
Download SMILES
Standard InChI InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21 ...
Download InChI
Standard InChI Key YEESKJGWJFYOOK-IJHYULJSSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL288943

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
496.7 496.2607 0.89 20 175.25 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 5 0 8 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.03 6.86 3.41 -.99 0 34 0.09

Structural Alerts

There are 8 structural alerts for CHEMBL288943. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YEESKJGWJFYOOK-IJHYULJSSA-N
PubChem SID: 26756769
Wikipedia Leukotriene_D4

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL288943



Atlas LTD4
BindingDB 50292408
Brenda 6548
ChEBI 28666
DrugBank DB11858
FDA SRS 5FNY4416UE
Human Metabolome Database HMDB62494
KEGG Ligand C05951
LipidMaps LMFA03020006
Metabolights MTBLC28666
Nikkaji J264.599H
PDBe LTD
PubChem 5280878
PubChem: Thomson Pharma 16480465
SureChEMBL SCHEMBL12795157
ZINC ZINC000004632133

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