Details of the Drug

General Information of Drug (ID: DMGTBO3)

• Drug Name: US10179791, Compound 171
• Synonyms: SCHEMBL10268794; BDBM321321; US10179791, Compound 171
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 381.4
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C23H24FNO3
  IUPAC Name: 3-[6-[(E)-2-(2-fluorophenyl)ethenyl]spiro[2H-1-benzofuran-3,4'-piperidine]-1'-yl]propanoic acid
  Canonical SMILES: C1CN(CCC12COC3=C2C=CC(=C3)/C=C/C4=CC=CC=C4F)CCC(=O)O
  InChI: InChI=1S/C23H24FNO3/c24-20-4-2-1-3-18(20)7-5-17-6-8-19-21(15-17)28-16-23(19)10-13-25(14-11-23)12-9-22(26)27/h1-8,15H,9-14,16H2,(H,26,27)/b7-5+
  InChIKey: SWXZUILIRNOBES-FNORWQNLSA-N
• Cross-matching ID:
  PubChem CID: 56599384
  TTD ID: D0LT5U

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] Spiro-cyclic amine derivatives as S1P modulators. US10179791.