Details of the Drug

General Information of Drug (ID: DMZG1HO)

• Drug Name: US9670220, 77
• Synonyms: SCHEMBL320491; BDBM195897; US9670220, 77
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 425.9
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C24H24ClNO4
  IUPAC Name: 3-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-2-methylpropanoic acid
  Canonical SMILES: CC(CN1CCC2=C(C1)C=C(O2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C(=O)O
  InChI: InChI=1S/C24H24ClNO4/c1-16(24(27)28)13-26-11-10-22-19(14-26)12-23(30-22)18-4-8-21(9-5-18)29-15-17-2-6-20(25)7-3-17/h2-9,12,16H,10-11,13-15H2,1H3,(H,27,28)
  InChIKey: YVXSDYLDIVRURS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56598043
  TTD ID: D07JOR

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.