Details of the Drug

General Information of Drug (ID: DM1N74R)

• Drug Name: US8586571, 6
• Synonyms: SCHEMBL3108837; CHEMBL3642665; BDBM106681; US8586571, 6
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 328.4
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C19H21FN2O2
  IUPAC Name: [3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-pyridin-2-ylmethanone
  Canonical SMILES: CC(C)(C)C1=C(C=CC(=C1)F)OC2CN(C2)C(=O)C3=CC=CC=N3
  InChI: InChI=1S/C19H21FN2O2/c1-19(2,3)15-10-13(20)7-8-17(15)24-14-11-22(12-14)18(23)16-6-4-5-9-21-16/h4-10,14H,11-12H2,1-3H3
  InChIKey: NKBTZZMPHFITPK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59577179
  TTD ID: D0J9YV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Plasma retinol-binding protein (RBP4)	TT0C8BY	RET4_HUMAN	Inhibitor	[1]

References

• [1] Heterocyclic compound. US8586571.