Details of the Drug

General Information of Drug (ID: DMGK0FD)

• Drug Name: Benzodihydroisofuran derivative 2
• Synonyms: PMID28699813-Compound-7
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 503.9
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C26H25ClF3N3O2
  IUPAC Name: 5-(4-chloropyridin-2-yl)-1'-[2-[4-(trifluoromethoxy)phenyl]propan-2-yl]spiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
  Canonical SMILES: CC(C)(C1=CC=C(C=C1)OC(F)(F)F)N2CCC3(CC2)C4=C(C=CC=N4)C(O3)C5=NC=CC(=C5)Cl
  InChI: InChI=1S/C26H25ClF3N3O2/c1-24(2,17-5-7-19(8-6-17)34-26(28,29)30)33-14-10-25(11-15-33)23-20(4-3-12-32-23)22(35-25)21-16-18(27)9-13-31-21/h3-9,12-13,16,22H,10-11,14-15H2,1-2H3
  InChIKey: YOXWNCRWJMZYKR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 57393568
  TTD ID: D0LZ4A

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.