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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

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

Structural Alerts

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

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
BindingDB 50158348
ChEBI 37550
eMolecules 715668
EPA CompTox Dashboard DTXSID4037166
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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