Details of the Drug

General Information of Drug (ID: DMNZD8T)

• Drug Name: US9670220, 76
• Synonyms: SCHEMBL321039; BDBM195896; US9670220, 76
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 391.5
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C24H25NO4
  IUPAC Name: 3-[2-(4-phenylmethoxyphenyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]butanoic acid
  Canonical SMILES: CC(CC(=O)O)N1CCC2=C(C1)C=C(O2)C3=CC=C(C=C3)OCC4=CC=CC=C4
  InChI: InChI=1S/C24H25NO4/c1-17(13-24(26)27)25-12-11-22-20(15-25)14-23(29-22)19-7-9-21(10-8-19)28-16-18-5-3-2-4-6-18/h2-10,14,17H,11-13,15-16H2,1H3,(H,26,27)
  InChIKey: OBUYLWCGRDYKEQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56598044
  TTD ID: D0WC1D

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.