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
  ChEBI ID: CHEMBL3642665
  TTD ID: D0J9YV
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug

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.