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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL578928
TTD ID
D0ZY7X
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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