Details of the Drug

General Information of Drug (ID: DMEHSR7)

• Drug Name: US9187437, 8
• Synonyms: SCHEMBL877139; CHEMBL3911469; BDBM192127; US9187437, 8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 400.4
  Logarithm of the Partition Coefficient (xlogp); 7.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C23H23F3N2O
  IUPAC Name: 5-[2-(1-phenylcyclohexyl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
  Canonical SMILES: C1CCC(CC1)(CCC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F)C4=CC=CC=C4
  InChI: InChI=1S/C23H23F3N2O/c24-23(25,26)19-11-7-8-17(16-19)21-27-20(29-28-21)12-15-22(13-5-2-6-14-22)18-9-3-1-4-10-18/h1,3-4,7-11,16H,2,5-6,12-15H2
  InChIKey: QEEBNTVAPQWKOQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56948777
  TTD ID: D0AK7K

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] Substituted oxadiazole compounds. US9187437.