Details of the Drug

General Information of Drug (ID: DM1LW62)

Drug Name
6-methyl-4-(piperazin-1-yl)furo[2,3-d]pyrimidine
Synonyms CHEMBL596328; 6-methyl-4-(piperazin-1-yl)furo[2,3-d]pyrimidine
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) 218.26
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C11H14N4O
IUPAC Name
6-methyl-4-piperazin-1-ylfuro[2,3-d]pyrimidine
Canonical SMILES
CC1=CC2=C(N=CN=C2O1)N3CCNCC3
InChI
InChI=1S/C11H14N4O/c1-8-6-9-10(13-7-14-11(9)16-8)15-4-2-12-3-5-15/h6-7,12H,2-5H2,1H3
InChIKey
MNCCXFCOQHVIEX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46228435
TTD ID
D05RKH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_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
5-HT 2C receptor (HTR2C) DTT HTR2C 1.02E-02 -0.45 -0.37
5-HT 2C receptor (HTR2C) DTT HTR2C 2.27E-01 0.27 0.6
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Design and synthesis of orally-active and selective azaindane 5HT2c agonist for the treatment of obesity. Bioorg Med Chem Lett. 2010 Jan 1;20(1):266-71.