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
  ChEBI ID: CHEMBL1951461
  TTD ID: D05NQZ
• 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
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.