Details of the Drug

General Information of Drug (ID: DMAM50X)

• Drug Name: Piperidinone derivative 1
• Synonyms: PMID27724045-Compound-3
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 348.75
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C15H16ClF3N2O2
  IUPAC Name: N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-methyl-6-oxopiperidine-2-carboxamide
  Canonical SMILES: CN1C(CCCC1=O)C(=O)NCC2=C(C(=CC=C2)C(F)(F)F)Cl
  InChI: InChI=1S/C15H16ClF3N2O2/c1-21-11(6-3-7-12(21)22)14(23)20-8-9-4-2-5-10(13(9)16)15(17,18)19/h2,4-5,11H,3,6-8H2,1H3,(H,20,23)
  InChIKey: YGCMKVHDGGAEFD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25016092
  TTD ID: D0NG6O

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
P2X purinoceptor 7 (P2RX7)	TT473XN	P2RX7_HUMAN	Antagonist	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
P2X purinoceptor 7 (P2RX7)	DTT	P2RX7	3.17E-01	-0.1	-0.22
P2X purinoceptor 7 (P2RX7)	DTT	P2RX7	5.97E-02	0.16	0.37

References

• [1] P2X7 receptor antagonists: a patent review (2010-2015).Expert Opin Ther Pat. 2017 Mar;27(3):257-267.