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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL187459
CHEMBL187459
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H37O3PS

Additional synonyms for CHEMBL187459 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCC\C=C\CCCCCCCCOP(=S)(O)O
Standard InChI InChI=1S/C18H37O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16- ...
Download InChI
Standard InChI Key DSGBMMNDXFQXBM-MDZDMXLPSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL187459

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
364.5 364.2201 6.25 17 49.69 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 1 3 2 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.95 - 7.76 3.55 0 23 0.18

Structural Alerts

There are 15 structural alerts for CHEMBL187459. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DSGBMMNDXFQXBM-MDZDMXLPSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL187459



BindingDB 50170844
PubChem 11473989
PubChem: Thomson Pharma 16574705
SureChEMBL SCHEMBL192972

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