Details of the Drug

General Information of Drug (ID: DMF6B1I)

• Drug Name: Benzodihydroisofuran derivative 3
• Synonyms: PMID28699813-Compound-8
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 509.3
  Logarithm of the Partition Coefficient (xlogp); 6.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C25H21Cl2F3N2O2
  IUPAC Name: 5-(3,5-dichlorophenyl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
  Canonical SMILES: C1CN(CCC12C3=C(C=CC=N3)C(O2)C4=CC(=CC(=C4)Cl)Cl)CC5=CC=C(C=C5)OC(F)(F)F
  InChI: InChI=1S/C25H21Cl2F3N2O2/c26-18-12-17(13-19(27)14-18)22-21-2-1-9-31-23(21)24(34-22)7-10-32(11-8-24)15-16-3-5-20(6-4-16)33-25(28,29)30/h1-6,9,12-14,22H,7-8,10-11,15H2
  InChIKey: LKCGVBONYVRCLD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 57404019
  TTD ID: D05NQZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Prolylcarboxypeptidase (PRCP)	TTTJZ4M	PCP_HUMAN	Inhibitor	[1]

References

• [1] Prolylcarboxypeptidase (PrCP) inhibitors and the therapeutic uses thereof: a patent review.Expert Opin Ther Pat. 2017 Oct;27(10):1077-1088.