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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1552426
CHEMBL1552426
Compound Name THROMBOXANE B2
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C20H34O6

Additional synonyms for CHEMBL1552426 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O
Standard InChI InChI=1S/C20H34O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(2 ...
Download InChI
Standard InChI Key XNRNNGPBEPRNAR-JQBLCGNGSA-N

Sources

  • PubChem BioAssays
  • TP-search Transporter Database

Alternate Forms of Compound in ChEMBL


CHEMBL1552426

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
370.5 370.2355 2.77 12 107.22 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 0 6 4 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.76 - 2.51 -.1 0 26 0.31

Structural Alerts

There are 5 structural alerts for CHEMBL1552426. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XNRNNGPBEPRNAR-JQBLCGNGSA-N
PubChem SID: 26754848

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1552426



ACToR 54397-85-2
BindingDB 82210
ChEBI 28728
eMolecules 532420
EPA CompTox Dashboard DTXSID60903947
Human Metabolome Database HMDB0003252
LipidMaps LMFA03030002
Metabolights MTBLC28728
MolPort MolPort-003-939-612
Nikkaji J37.201C
PubChem 5283137
PubChem: Thomson Pharma 49658034
SureChEMBL SCHEMBL38223

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