Details of the Drug

General Information of Drug (ID: DMECJDM)

• Drug Name: Imidazolidine derivative 1
• Synonyms: PMID27724045-Compound-1
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 413.8
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C17H15ClF3N5O2
  IUPAC Name: N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1-pyrimidin-2-ylimidazolidine-4-carboxamide
  Canonical SMILES: CN1C(CN(C1=O)C2=NC=CC=N2)C(=O)NCC3=C(C(=CC=C3)C(F)(F)F)Cl
  InChI: InChI=1S/C17H15ClF3N5O2/c1-25-12(9-26(16(25)28)15-22-6-3-7-23-15)14(27)24-8-10-4-2-5-11(13(10)18)17(19,20)21/h2-7,12H,8-9H2,1H3,(H,24,27)
  InChIKey: VEJSCJTUSBXATQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25097731
  TTD ID: D0WI9M

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.