Details of the Drug

General Information of Drug (ID: DM9JCL2)

• Drug Name: US9670220, 33
• Synonyms: SCHEMBL322452; BDBM195889; US9670220, 33
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 395.4
  Logarithm of the Partition Coefficient (xlogp); 1.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H22FNO4
  IUPAC Name: 3-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]propanoic acid
  Canonical SMILES: C1CN(CC2=C1OC(=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4F)CCC(=O)O
  InChI: InChI=1S/C23H22FNO4/c24-20-4-2-1-3-17(20)15-28-19-7-5-16(6-8-19)22-13-18-14-25(12-10-23(26)27)11-9-21(18)29-22/h1-8,13H,9-12,14-15H2,(H,26,27)
  InChIKey: TUHBOROWRALEDS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56597913
  TTD ID: D0Q4XE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sphingosine-1-phosphate receptor 3 (S1PR3)	TTDYP7I	S1PR3_HUMAN	Inhibitor	[1]

References

• [1] Fused heterocyclic derivatives as S1P modulators. US9670220.