Details of the Drug

General Information of Drug (ID: DM2ULB8)

• Drug Name: US9187437, 38
• Synonyms: SCHEMBL876090; CHEMBL3906369; BDBM192146; US9187437, 38
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 333.4
  Logarithm of the Partition Coefficient (xlogp); 5.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C21H23N3O
  IUPAC Name: 5-[2-(1-phenylcyclohexyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole
  Canonical SMILES: C1CCC(CC1)(CCC2=NC(=NO2)C3=CN=CC=C3)C4=CC=CC=C4
  InChI: InChI=1S/C21H23N3O/c1-3-9-18(10-4-1)21(12-5-2-6-13-21)14-11-19-23-20(24-25-19)17-8-7-15-22-16-17/h1,3-4,7-10,15-16H,2,5-6,11-14H2
  InChIKey: UAUQCABEJBRLRC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56949269
  TTD ID: D0OW3S

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.