Details of the Drug

General Information of Drug (ID: DMOFI09)

• Drug Name: Bicyclic heteroaryl amide derivative 1
• Synonyms: PMID27724045-Compound-23
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 425.5
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C26H27N5O
  IUPAC Name: 4-methyl-N-[(1-pyridin-3-ylcyclohexyl)methyl]-1-pyrimidin-2-ylindole-3-carboxamide
  Canonical SMILES: CC1=C2C(=CC=C1)N(C=C2C(=O)NCC3(CCCCC3)C4=CN=CC=C4)C5=NC=CC=N5
  InChI: InChI=1S/C26H27N5O/c1-19-8-5-10-22-23(19)21(17-31(22)25-28-14-7-15-29-25)24(32)30-18-26(11-3-2-4-12-26)20-9-6-13-27-16-20/h5-10,13-17H,2-4,11-12,18H2,1H3,(H,30,32)
  InChIKey: OIKQYDBRBPIGDB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25164165
  TTD ID: D0PI1X

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.