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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL366208
CHEMBL366208
Compound Name FINGOLIMOD PHOSPHATE
ChEMBL Synonyms FTY-720P
Max Phase 0
Trade Names
Molecular Formula C19H34NO5P

Additional synonyms for CHEMBL366208 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCc1ccc(CC[C@](N)(CO)COP(=O)(O)O)cc1
Standard InChI InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13- ...
Download InChI
Standard InChI Key LRFKWQGGENFBFO-IBGZPJMESA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL366208

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
387.5 387.2175 4.13 14 122.82 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
1.73 10.04 2.32 -1.08 1 26 0.28

Structural Alerts

There are 11 structural alerts for CHEMBL366208. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LRFKWQGGENFBFO-IBGZPJMESA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL366208



BindingDB 23165
eMolecules 30154778 27520289
FDA SRS 92YDM6122J
Guide to Pharmacology 6996
Nikkaji J1.990.840B
PubChem 11452022
PubChem: Thomson Pharma 16551051
SureChEMBL SCHEMBL4267565
ZINC ZINC000014163159

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