Details of the Drug | DrugMAP

General Information of Drug (ID: DM249KU)

Drug Name	Benzodihydroisofuran derivative 1
Synonyms	PMID28699813-Compound-6
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 1	Molecular Weight (mw)			474.9
	Logarithm of the Partition Coefficient (xlogp)			5.5
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			0
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C25H22ClF3N2O2 IUPAC Name 1-(4-chloropyridin-2-yl)-1'-[[4-(trifluoromethoxy)phenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine] Canonical SMILES C1CN(CCC12C3=CC=CC=C3C(O2)C4=NC=CC(=C4)Cl)CC5=CC=C(C=C5)OC(F)(F)F InChI InChI=1S/C25H22ClF3N2O2/c26-18-9-12-30-22(15-18)23-20-3-1-2-4-21(20)24(33-23)10-13-31(14-11-24)16-17-5-7-19(8-6-17)32-25(27,28)29/h1-9,12,15,23H,10-11,13-14,16H2 InChIKey LFFCKQUVNSOFQR-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 54577783 TTD ID D03GPW

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]

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Molecular Interaction Atlas (MIA)

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References

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