Details of the Drug

General Information of Drug (ID: DMC56YJ)

• Drug Name: GNF-PF-2700
• Synonyms: 5361-37-5; GNF-Pf-2700; N-(8-ethoxy-4-methylquinazolin-2-yl)guanidine; 1-(8-ethoxy-4-methylquinazolin-2-yl)guanidine; CHEMBL602578; N-(8-Ethoxy-4-methyl-quinazolin-2-yl)-guanidine; Guanidine, N-(8-ethoxy-4-methyl-2-quinazolinyl)-; amino(8-ethoxy-4-methylquinazolin-2-yl)carboxamidine; BAS 00364218; 2-(8-ethoxy-4-methylquinazolin-2-yl)guanidine; AC1MDO65; SCHEMBL4104976; MolPort-000-870-551; ZX-AN037437; ALBB-021848; BDBM50322849; STK091313; SBB041931; ZINC19314134; AKOS000270455; MCULE-2552194685; ST4052426; R3533

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 245.28
  Logarithm of the Partition Coefficient (xlogp); 1.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H15N5O
  IUPAC Name: 2-(8-ethoxy-4-methylquinazolin-2-yl)guanidine
  Canonical SMILES: CCOC1=CC=CC2=C(N=C(N=C21)N=C(N)N)C
  InChI: InChI=1S/C12H15N5O/c1-3-18-9-6-4-5-8-7(2)15-12(16-10(8)9)17-11(13)14/h4-6H,3H2,1-2H3,(H4,13,14,15,16,17)
  InChIKey: NNFBJZLFJMBVGQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2840092
  TTD ID: D0O1CW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]
Adenosine A2b receptor (ADORA2B)	TTNE7KG	AA2BR_HUMAN	Inhibitor	[1]

References

• [1] Insights into binding modes of adenosine A(2B) antagonists with ligand-based and receptor-based methods. Eur J Med Chem. 2010 Aug;45(8):3459-71.