Details of the Drug

General Information of Drug (ID: DM69HL5)

• Drug Name: Bicyclic heteroaryl amide derivative 2
• Synonyms: PMID27724045-Compound-24
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 426.5
  Topological Polar Surface Area (xlogp); 5
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C24H31FN4O2
  IUPAC Name: N-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-2-(4-fluoropiperidine-1-carbonyl)imidazo[1,2-a]pyridine-5-carboxamide
  Canonical SMILES: CC1([C@H]2CC[C@H]([C@@H]1C2)CNC(=O)C3=CC=CC4=NC(=CN43)C(=O)N5CCC(CC5)F)C
  InChI: InChI=1S/C24H31FN4O2/c1-24(2)16-7-6-15(18(24)12-16)13-26-22(30)20-4-3-5-21-27-19(14-29(20)21)23(31)28-10-8-17(25)9-11-28/h3-5,14-18H,6-13H2,1-2H3,(H,26,30)/t15-,16-,18-/m0/s1
  InChIKey: AOWWKPWFEIOIDV-BQFCYCMXSA-N
• Cross-matching ID:
  PubChem CID: 89521474
  TTD ID: D08OKB

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.
• [2] Efficacy and safety of CE-224,535, an antagonist of P2X7 receptor, in treatment of patients with rheumatoid arthritis inadequately controlled by methotrexate. J Rheumatol. 2012 Apr;39(4):720-7.
• [3] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [4] Antibodies and venom peptides: new modalities for ion channels. Nat Rev Drug Discov. 2019 May;18(5):339-357.
• [5] Molecular and functional properties of P2X receptors ecent progress and persisting challenges. Purinergic Signal. 2012 September; 8(3): 375-417.
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [8] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [9] Pharmacological characterization of a novel centrally permeable P2X7 receptor antagonist: JNJ-47965567. Br J Pharmacol. 2013 Oct;170(3):624-40.