Details of the Drug

General Information of Drug (ID: DMVFBHD)

• Drug Name: US9187437, 24
• Synonyms: SCHEMBL876114; CHEMBL3909228; BDBM192144; US9187437, 24
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 481.4
  Logarithm of the Partition Coefficient (xlogp); 8.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H26Cl2N4O
  IUPAC Name: 3-[3-[(4,5-dichloroimidazol-1-yl)methyl]phenyl]-5-[2-(1-phenylcyclohexyl)ethyl]-1,2,4-oxadiazole
  Canonical SMILES: C1CCC(CC1)(CCC2=NC(=NO2)C3=CC=CC(=C3)CN4C=NC(=C4Cl)Cl)C5=CC=CC=C5
  InChI: InChI=1S/C26H26Cl2N4O/c27-23-24(28)32(18-29-23)17-19-8-7-9-20(16-19)25-30-22(33-31-25)12-15-26(13-5-2-6-14-26)21-10-3-1-4-11-21/h1,3-4,7-11,16,18H,2,5-6,12-15,17H2
  InChIKey: TVHRMMKSOSXQRC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56949017
  TTD ID: D0RQ0B

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.