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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL225155
CHEMBL225155
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C18H38NO5P

Additional synonyms for CHEMBL225155 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)COP(=O)(O)O
Standard InChI InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18( ...
Download InChI
Standard InChI Key DUYSYHSSBDVJSM-KRWOKUGFSA-N

Structural Alerts

There are 15 structural alerts for CHEMBL225155. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL225155

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
379.5 379.2488 4.75 17 122.82 ZWITTERION


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
1.76 9.8 3.37 -.1 0 25 0.16

Compound Cross References

ChemSpider ChemSpider:DUYSYHSSBDVJSM-KRWOKUGFSA-N
PubChem SID: 26754964 SID: 26754965
Wikipedia Sphingosine-1-phosphate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL225155



ACToR 26993-30-6
BindinDB 50158348
ChEBI 37550
eMolecules 715668
Guide to Pharmacology 911
KEGG Ligand C06124
MolPort MolPort-003-850-277
Nikkaji J1.505.321F J627.163D
PDBe S1P
PubChem 10883396 5283560
PubChem: Drugs of the Future 99431555
PubChem: Thomson Pharma 14853517 15929606 14902393
SureChEMBL SCHEMBL3886

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