Details of the Drug

General Information of Drug (ID: DM9J35R)

• Drug Name: GNF-PF-2094
• Synonyms: GNF-Pf-2094; CHEMBL578928; AC1LF3VX; ChemDiv3_003176; MLS000555549; REGID_for_CID_697226; ZINC73452; MolPort-002-569-783; HMS2595H06; HMS3382F08; HMS1482A08; DNDI1388215; CCG-20329; BDBM50304834; STK839621; AKOS005624964; MCULE-1058130285; IDI1_021086; SMR000147266; SR-01000110418; SR-01000110418-1; BRD-K84805375-001-01-1; N2-benzyl-N4-cyclohexyl-6-methylpyrimidine-2,4-diamine; 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine; N*2*-Benzyl-N*4*-cyclohexyl-6-methyl-pyrimidine-2,4-diamine

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); 296.4
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C18H24N4
  IUPAC Name: 2-N-benzyl-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
  Canonical SMILES: CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3CCCCC3
  InChI: InChI=1S/C18H24N4/c1-14-12-17(21-16-10-6-3-7-11-16)22-18(20-14)19-13-15-8-4-2-5-9-15/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H2,19,20,21,22)
  InChIKey: GDKCAAWSNQLXNX-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 697226
  TTD ID: D0ZY7X

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[1]

References

• [1] Synthesis and antiplasmodial activity of novel 2,4-diaminopyrimidines. Bioorg Med Chem Lett. 2010 Jan 1;20(1):228-31.