Details of the Drug

General Information of Drug (ID: DM5WETL)

• Drug Name: (S)-FTY720P
• Synonyms: CHEMBL1213480
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 387.5
  Logarithm of the Partition Coefficient (xlogp); 0.8
  Rotatable Bond Count (rotbonds); 14
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C19H34NO5P
  IUPAC Name: [(2S)-2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl] dihydrogen phosphate
  Canonical SMILES: CCCCCCCCC1=CC=C(C=C1)CC[C@](CO)(COP(=O)(O)O)N
  InChI: InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)/t19-/m0/s1
  InChIKey: LRFKWQGGENFBFO-IBGZPJMESA-N
• Cross-matching ID:
  PubChem CID: 11452022
  CAS Number: 402616-26-6
  TTD ID: D0O4JU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine-1-phosphate receptor 1 (S1PR1)	TT9JZCK	S1PR1_HUMAN	Inhibitor	[1]

References

• [1] Persistent signaling induced by FTY720-phosphate is mediated by internalized S1P1 receptors. Nat Chem Biol. 2009 Jun;5(6):428-34.