Details of the Drug

General Information of Drug (ID: DMX3A0O)

• Drug Name: US8586571, 36
• Synonyms: SCHEMBL3105846; CHEMBL3642666; VZDYQTRPYQHMNA-UHFFFAOYSA-N; BDBM106682; US8586571, 36; 3-(3-(2-tert-butylphenoxy)azetidin-1-yl)-3-oxopropanoic acid
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 291.34
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H21NO4
  IUPAC Name: 3-[3-(2-tert-butylphenoxy)azetidin-1-yl]-3-oxopropanoic acid
  Canonical SMILES: CC(C)(C)C1=CC=CC=C1OC2CN(C2)C(=O)CC(=O)O
  InChI: InChI=1S/C16H21NO4/c1-16(2,3)12-6-4-5-7-13(12)21-11-9-17(10-11)14(18)8-15(19)20/h4-7,11H,8-10H2,1-3H3,(H,19,20)
  InChIKey: VZDYQTRPYQHMNA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 59577090
  TTD ID: D0I1LE

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.