General Information of Drug (ID: DMIQYWM)

Drug Name
2-morpholino-N-phenethylpyrimidin-4-amine
Synonyms CHEMBL1085505; 2-morpholino-N-phenethylpyrimidin-4-amine; BDBM50319974
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) 284.36
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H20N4O
IUPAC Name
2-morpholin-4-yl-N-(2-phenylethyl)pyrimidin-4-amine
Canonical SMILES
C1COCCN1C2=NC=CC(=N2)NCCC3=CC=CC=C3
InChI
InChI=1S/C16H20N4O/c1-2-4-14(5-3-1)6-8-17-15-7-9-18-16(19-15)20-10-12-21-13-11-20/h1-5,7,9H,6,8,10-13H2,(H,17,18,19)
InChIKey
QCZVHPUPIBZBLH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46891060
TTD ID
D0K8AU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design, synthesis and evaluation of 2,4-disubstituted pyrimidines as cholinesterase inhibitors. Bioorg Med Chem Lett. 2010 Jun 15;20(12):3606-9.