Details of the Drug

General Information of Drug (ID: DMDXMH9)

• Drug Name: PMID27109571-Compound-3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 352.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H24N2O3
  IUPAC Name: 2,3-dihydro-1H-inden-5-yl 6-(2-morpholin-4-ylethyl)pyridine-3-carboxylate
  Canonical SMILES: C1CC2=C(C1)C=C(C=C2)OC(=O)C3=CN=C(C=C3)CCN4CCOCC4
  InChI: InChI=1S/C21H24N2O3/c24-21(26-20-7-5-16-2-1-3-17(16)14-20)18-4-6-19(22-15-18)8-9-23-10-12-25-13-11-23/h4-7,14-15H,1-3,8-13H2
  InChIKey: YBXFSMTZUPPQRJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56592603
  TTD ID: D0M6MM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid-binding protein (FABP)	TTMY6L1	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Fatty acid binding protein (FABP) inhibitors: a patent review (2012-2015).Expert Opin Ther Pat. 2016 Jul;26(7):767-76.